3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C83H83F3N22O8S11 — CID 161365225

About 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 161365225) has the molecular formula C83H83F3N22O8S11 and a molecular weight of 1926.45 g/mol. Its IUPAC name is 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 161365225
• Molecular Formula: C83H83F3N22O8S11
• Molecular Weight: 1926.45 g/mol
• Exact Mass: 1924.36
• IUPAC Name: 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc[nH]c3=O)n2)s1.CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4ccccc34)n2)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C(F)(F)F)cs1.COc1ccncc1Nc1nc(-c2sc(C)nc2C)cs1.Cc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3OC(C)C)sc2C)s1
• InChI: InChI=1S/C19H16N4OS2.C18H18F3N5OS2.C18H22N4O3S3.C14H13N5O2S2.C14H14N4OS2/c1-11-17(26-19(20-11)21-12(2)24)16-10-25-18(23-16)22-15-9-5-7-13-6-3-4-8-14(13)15;1-8(2)5-9-3-4-10(15(22)27)6-11(9)24-17-25-12(7-28-17)13-14(18(19,20)21)26-16(23)29-13;1-9(2)25-15-7-6-13(28(19,23)24)8-14(15)21-18-22-16(11(4)26-18)17-10(3)20-12(5)27-17;1-7-11(23-14(16-7)17-8(2)20)10-6-22-13(19-10)18-9-4-3-5-15-12(9)21;1-8-13(21-9(2)16-8)11-7-20-14(18-11)17-10-6-15-5-4-12(10)19-3/h3-10H,1-2H3,(H,22,23)(H,20,21,24);3-4,6-8H,5H2,1-2H3,(H2,22,27)(H2,23,26)(H,24,25);6-9H,1-5H3,(H,21,22)(H2,19,23,24);3-6H,1-2H3,(H,15,21)(H,18,19)(H,16,17,20);4-7H,1-3H3,(H,17,18)
• InChIKey: VPSLBUJGXLROCH-UHFFFAOYSA-N
• XLogP: 21.70
• TPSA: 440.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.45
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 161365225) is 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc[nH]c3=O)n2)s1.CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc4ccccc34)n2)s1.CC(C)Cc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N)nc2C(F)(F)F)cs1.COc1ccncc1Nc1nc(-c2sc(C)nc2C)cs1.Cc1nc(C)c(-c2nc(Nc3cc(S(N)(=O)=O)ccc3OC(C)C)sc2C)s1.

What is the InChIKey of 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is VPSLBUJGXLROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2.C18H18F3N5OS2.C18H22N4O3S3.C14H13N5O2S2.C14H14N4OS2/c1-11-17(26-19(20-11)21-12(2)24)16-10-25-18(23-16)22-15-9-5-7-13-6-3-4-8-14(13)15;1-8(2)5-9-3-4-10(15(22)27)6-11(9)24-17-25-12(7-28-17)13-14(18(19,20)21)26-16(23)29-13;1-9(2)25-15-7-6-13(28(19,23)24)8-14(15)21-18-22-16(11(4)26-18)17-10(3)20-12(5)27-17;1-7-11(23-14(16-7)17-8(2)20)10-6-22-13(19-10)18-9-4-3-5-15-12(9)21;1-8-13(21-9(2)16-8)11-7-20-14(18-11)17-10-6-15-5-4-12(10)19-3/h3-10H,1-2H3,(H,22,23)(H,20,21,24);3-4,6-8H,5H2,1-2H3,(H2,22,27)(H2,23,26)(H,24,25);6-9H,1-5H3,(H,21,22)(H2,19,23,24);3-6H,1-2H3,(H,15,21)(H,18,19)(H,16,17,20);4-7H,1-3H3,(H,17,18).

What are the key properties of 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?

3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1926.45 g/mol, XLogP of 21.70, 24 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide;4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-3-pyridinyl)-1,3-thiazol-2-amine;3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;N-[4-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[2-[(2-oxo-1H-pyridin-3-yl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 161365225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).