N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide

C97H117F9N24O11S — CID 158863667

About N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide

N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158863667) has the molecular formula C97H117F9N24O11S and a molecular weight of 1998.21 g/mol. Its IUPAC name is N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 158863667
• Molecular Formula: C97H117F9N24O11S
• Molecular Weight: 1998.21 g/mol
• Exact Mass: 1996.89
• IUPAC Name: N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: C.C.C.CC(=O)c1nn(-c2ccccc2)nc1C.CNC(=O)c1c(C(F)(F)F)cc(C)nc1C.CNC(=O)c1c(C(F)(F)F)ccnc1C.CNC(=O)c1c(C)ccnc1C.CNC(=O)c1c(C)noc1C.CNC(=O)c1ccnc2ccccc12.CNC(=O)c1cnc2cc(C)nn2c1C.CNC(=O)c1cncnc1C(F)(F)F.CNC(=O)c1nccc2ccccc12.CNC(=O)c1sc(C(C)C)nc1C
• InChI: InChI=1S/C11H11N3O.2C11H10N2O.C10H11F3N2O.C10H12N4O.C9H9F3N2O.C9H14N2OS.C9H12N2O.C7H6F3N3O.C7H10N2O2.3CH4/c1-8-11(9(2)15)13-14(12-8)10-6-4-3-5-7-10;1-12-11(14)9-6-7-13-10-5-3-2-4-8(9)10;1-12-11(14)10-9-5-3-2-4-8(9)6-7-13-10;1-5-4-7(10(11,12)13)8(6(2)15-5)9(16)14-3;1-6-4-9-12-5-8(10(15)11-3)7(2)14(9)13-6;1-5-7(8(15)13-2)6(3-4-14-5)9(10,11)12;1-5(2)9-11-6(3)7(13-9)8(12)10-4;1-6-4-5-11-7(2)8(6)9(12)10-3;1-11-6(14)4-2-12-3-13-5(4)7(8,9)10;1-4-6(7(10)8-3)5(2)11-9-4;;;/h3-7H,1-2H3;2*2-7H,1H3,(H,12,14);4H,1-3H3,(H,14,16);4-5H,1-3H3,(H,11,15);3-4H,1-2H3,(H,13,15);5H,1-4H3,(H,10,12);4-5H,1-3H3,(H,10,12);2-3H,1H3,(H,11,14);1-3H3,(H,8,10);3*1H4
• InChIKey: JAYNQHGWESXJIM-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 469.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.21
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 158863667) is N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide is C.C.C.CC(=O)c1nn(-c2ccccc2)nc1C.CNC(=O)c1c(C(F)(F)F)cc(C)nc1C.CNC(=O)c1c(C(F)(F)F)ccnc1C.CNC(=O)c1c(C)ccnc1C.CNC(=O)c1c(C)noc1C.CNC(=O)c1ccnc2ccccc12.CNC(=O)c1cnc2cc(C)nn2c1C.CNC(=O)c1cncnc1C(F)(F)F.CNC(=O)c1nccc2ccccc12.CNC(=O)c1sc(C(C)C)nc1C.

What is the InChIKey of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is JAYNQHGWESXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.2C11H10N2O.C10H11F3N2O.C10H12N4O.C9H9F3N2O.C9H14N2OS.C9H12N2O.C7H6F3N3O.C7H10N2O2.3CH4/c1-8-11(9(2)15)13-14(12-8)10-6-4-3-5-7-10;1-12-11(14)9-6-7-13-10-5-3-2-4-8(9)10;1-12-11(14)10-9-5-3-2-4-8(9)6-7-13-10;1-5-4-7(10(11,12)13)8(6(2)15-5)9(16)14-3;1-6-4-9-12-5-8(10(15)11-3)7(2)14(9)13-6;1-5-7(8(15)13-2)6(3-4-14-5)9(10,11)12;1-5(2)9-11-6(3)7(13-9)8(12)10-4;1-6-4-5-11-7(2)8(6)9(12)10-3;1-11-6(14)4-2-12-3-13-5(4)7(8,9)10;1-4-6(7(10)8-3)5(2)11-9-4;;;/h3-7H,1-2H3;2*2-7H,1H3,(H,12,14);4H,1-3H3,(H,14,16);4-5H,1-3H3,(H,11,15);3-4H,1-2H3,(H,13,15);5H,1-4H3,(H,10,12);4-5H,1-3H3,(H,10,12);2-3H,1H3,(H,11,14);1-3H3,(H,8,10);3*1H4.

What are the key properties of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?

N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1998.21 g/mol, XLogP of 15.93, 12 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158863667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).