6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane

C47H49F3N12O4S2 — CID 142859301

About 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane (PubChem CID 142859301) has the molecular formula C47H49F3N12O4S2 and a molecular weight of 967.12 g/mol. Its IUPAC name is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane
• PubChem CID: 142859301
• Molecular Formula: C47H49F3N12O4S2
• Molecular Weight: 967.12 g/mol
• Exact Mass: 966.34
• IUPAC Name: 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane
• SMILES: CC.CC1CC=CC(F)=C1C(=O)c1sc(Nc2ccc(C(=O)NCc3ccccn3)cn2)nc1N.CN1CCCC1CNC(=O)c1ccc(Nc2nc(N)c(C(=O)c3c(F)cccc3F)s2)nc1
• InChI: InChI=1S/C23H21FN6O2S.C22H22F2N6O2S.C2H6/c1-13-5-4-7-16(24)18(13)19(31)20-21(25)30-23(33-20)29-17-9-8-14(11-27-17)22(32)28-12-15-6-2-3-10-26-15;1-30-9-3-4-13(30)11-27-21(32)12-7-8-16(26-10-12)28-22-29-20(25)19(33-22)18(31)17-14(23)5-2-6-15(17)24;1-2/h2-4,6-11,13H,5,12,25H2,1H3,(H,28,32)(H,27,29,30);2,5-8,10,13H,3-4,9,11,25H2,1H3,(H,27,32)(H,26,28,29);1-2H3
• InChIKey: WUYPRGCPNCGWKE-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 236.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	967.12
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane?

The IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane (CID 142859301) is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane.

What is the SMILES notation for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane?

The canonical SMILES for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane is CC.CC1CC=CC(F)=C1C(=O)c1sc(Nc2ccc(C(=O)NCc3ccccn3)cn2)nc1N.CN1CCCC1CNC(=O)c1ccc(Nc2nc(N)c(C(=O)c3c(F)cccc3F)s2)nc1.

What is the InChIKey of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane?

The InChIKey is WUYPRGCPNCGWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2S.C22H22F2N6O2S.C2H6/c1-13-5-4-7-16(24)18(13)19(31)20-21(25)30-23(33-20)29-17-9-8-14(11-27-17)22(32)28-12-15-6-2-3-10-26-15;1-30-9-3-4-13(30)11-27-21(32)12-7-8-16(26-10-12)28-22-29-20(25)19(33-22)18(31)17-14(23)5-2-6-15(17)24;1-2/h2-4,6-11,13H,5,12,25H2,1H3,(H,28,32)(H,27,29,30);2,5-8,10,13H,3-4,9,11,25H2,1H3,(H,27,32)(H,26,28,29);1-2H3.

What are the key properties of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane?

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane has a molecular weight of 967.12 g/mol, XLogP of 8.41, 14 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide;6-[[4-amino-5-(2-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)-1,3-thiazol-2-yl]amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 142859301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).