N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane

C106H92Cl5N37O11S2 — CID 158112190

About N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane

N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane (PubChem CID 158112190) has the molecular formula C106H92Cl5N37O11S2 and a molecular weight of 2301.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane
• PubChem CID: 158112190
• Molecular Formula: C106H92Cl5N37O11S2
• Molecular Weight: 2301.55 g/mol
• Exact Mass: 2297.57
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane
• SMILES: C.CC1=C(C(=O)NC2CC2)C(C2=NCC=C2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2ccon2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nc3ccccc3s2)C(c2[nH]ncc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nnc(-c3ccccc3)s2)C(c2[nH]ncc2Cl)N=C(Nc2nc3ccccc3o2)N1.CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1C1=NCC=C1Cl
• InChI: InChI=1S/C24H18ClN9O2S.C23H17ClN8O2S.C20H17ClN8O3.C20H19ClN6O2.C18H17ClN6O2.CH4/c1-12-17(20(35)30-24-34-33-21(37-24)13-7-3-2-4-8-13)19(18-14(25)11-26-32-18)29-22(27-12)31-23-28-15-9-5-6-10-16(15)36-23;1-11-17(20(33)30-23-28-14-7-3-5-9-16(14)35-23)19(18-12(24)10-25-32-18)29-21(26-11)31-22-27-13-6-2-4-8-15(13)34-22;1-10-15(18(30)24-14-7-8-31-28-14)17(16-11(21)9-29(2)27-16)25-19(22-10)26-20-23-12-5-3-4-6-13(12)32-20;1-10-15(18(28)24-11-6-7-11)17(16-12(21)8-9-22-16)26-19(23-10)27-20-25-13-4-2-3-5-14(13)29-20;1-9-13(16(26)20-2)15(14-10(19)7-8-21-14)24-17(22-9)25-18-23-11-5-3-4-6-12(11)27-18;/h2-11,19H,1H3,(H,26,32)(H,30,34,35)(H2,27,28,29,31);2-10,19H,1H3,(H,25,32)(H,28,30,33)(H2,26,27,29,31);3-9,17H,1-2H3,(H,24,28,30)(H2,22,23,25,26);2-5,8,11,17H,6-7,9H2,1H3,(H,24,28)(H2,23,25,26,27);3-7,15H,8H2,1-2H3,(H,20,26)(H2,22,23,24,25);1H4
• InChIKey: FQOMSWFSBMVTIH-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 622.35 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 43
• Rotatable Bonds: 20
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.55
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane (CID 158112190) is N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane is C.CC1=C(C(=O)NC2CC2)C(C2=NCC=C2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2ccon2)C(c2nn(C)cc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nc3ccccc3s2)C(c2[nH]ncc2Cl)N=C(Nc2nc3ccccc3o2)N1.CC1=C(C(=O)Nc2nnc(-c3ccccc3)s2)C(c2[nH]ncc2Cl)N=C(Nc2nc3ccccc3o2)N1.CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1C1=NCC=C1Cl.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane?

The InChIKey is FQOMSWFSBMVTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN9O2S.C23H17ClN8O2S.C20H17ClN8O3.C20H19ClN6O2.C18H17ClN6O2.CH4/c1-12-17(20(35)30-24-34-33-21(37-24)13-7-3-2-4-8-13)19(18-14(25)11-26-32-18)29-22(27-12)31-23-28-15-9-5-6-10-16(15)36-23;1-11-17(20(33)30-23-28-14-7-3-5-9-16(14)35-23)19(18-12(24)10-25-32-18)29-21(26-11)31-22-27-13-6-2-4-8-15(13)34-22;1-10-15(18(30)24-14-7-8-31-28-14)17(16-11(21)9-29(2)27-16)25-19(22-10)26-20-23-12-5-3-4-6-13(12)32-20;1-10-15(18(28)24-11-6-7-11)17(16-12(21)8-9-22-16)26-19(23-10)27-20-25-13-4-2-3-5-14(13)29-20;1-9-13(16(26)20-2)15(14-10(19)7-8-21-14)24-17(22-9)25-18-23-11-5-3-4-6-12(11)27-18;/h2-11,19H,1H3,(H,26,32)(H,30,34,35)(H2,27,28,29,31);2-10,19H,1H3,(H,25,32)(H,28,30,33)(H2,26,27,29,31);3-9,17H,1-2H3,(H,24,28,30)(H2,22,23,25,26);2-5,8,11,17H,6-7,9H2,1H3,(H,24,28)(H2,23,25,26,27);3-7,15H,8H2,1-2H3,(H,20,26)(H2,22,23,24,25);1H4.

What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane?

N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane has a molecular weight of 2301.55 g/mol, XLogP of 18.31, 20 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-methylpyrazol-3-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N-cyclopropyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-N,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide;methane is sourced from PubChem (CID 158112190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).