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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide

C106H91Cl5N38O10S3 — CID 159484387

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 159484387) has the molecular formula C106H91Cl5N38O10S3 and a molecular weight of 2330.62 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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide.

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
• PubChem CID: 159484387
• Molecular Formula: C106H91Cl5N38O10S3
• Molecular Weight: 2330.62 g/mol
• Exact Mass: 2326.54
• 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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)NC2CCCC2)C(C2=NCC=C2Cl)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.CC1=C(C(=O)Nc2nncs2)C(C2=NCC=C2Cl)N=C(Nc2nc3ccccc3o2)N1.CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1nn(C)cc1Cl
• InChI: InChI=1S/C24H18ClN9O2S.C23H17ClN8O2S.C22H23ClN6O2.C19H15ClN8O2S.C18H18ClN7O2/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;1-12-17(20(30)26-13-6-2-3-7-13)19(18-14(23)10-11-24-18)28-21(25-12)29-22-27-15-8-4-5-9-16(15)31-22;1-9-13(16(29)26-19-28-22-8-31-19)15(14-10(20)6-7-21-14)25-17(23-9)27-18-24-11-4-2-3-5-12(11)30-18;1-9-13(16(27)20-2)15(14-10(19)8-26(3)25-14)23-17(21-9)24-18-22-11-6-4-5-7-12(11)28-18/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);4-5,8-10,13,19H,2-3,6-7,11H2,1H3,(H,26,30)(H2,25,27,28,29);2-6,8,15H,7H2,1H3,(H,26,28,29)(H2,23,24,25,27);4-8,15H,1-3H3,(H,20,27)(H2,21,22,23,24)
• InChIKey: LXKBQTCYEGOQSY-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 622.10 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 44
• Rotatable Bonds: 20
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.62
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	44

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide (CID 159484387) 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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide.

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)NC2CCCC2)C(C2=NCC=C2Cl)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.CC1=C(C(=O)Nc2nncs2)C(C2=NCC=C2Cl)N=C(Nc2nc3ccccc3o2)N1.CNC(=O)C1=C(C)NC(Nc2nc3ccccc3o2)=NC1c1nn(C)cc1Cl.

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?

The InChIKey is LXKBQTCYEGOQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN9O2S.C23H17ClN8O2S.C22H23ClN6O2.C19H15ClN8O2S.C18H18ClN7O2/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;1-12-17(20(30)26-13-6-2-3-7-13)19(18-14(23)10-11-24-18)28-21(25-12)29-22-27-15-8-4-5-9-16(15)31-22;1-9-13(16(29)26-19-28-22-8-31-19)15(14-10(20)6-7-21-14)25-17(23-9)27-18-24-11-4-2-3-5-12(11)30-18;1-9-13(16(27)20-2)15(14-10(19)8-26(3)25-14)23-17(21-9)24-18-22-11-6-4-5-7-12(11)28-18/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);4-5,8-10,13,19H,2-3,6-7,11H2,1H3,(H,26,30)(H2,25,27,28,29);2-6,8,15H,7H2,1H3,(H,26,28,29)(H2,23,24,25,27);4-8,15H,1-3H3,(H,20,27)(H2,21,22,23,24).

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide?

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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 2330.62 g/mol, XLogP of 18.32, 20 rotatable bonds, 17 hydrogen bond donors, and 44 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)-N,6-dimethyl-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-cyclopentyl-6-methyl-1,4-dihydropyrimidine-5-carboxamide;2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-2H-pyrrol-5-yl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 159484387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).