5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine

C61H70ClF6N17O8S3 — CID 161459071

About 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine

5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine (PubChem CID 161459071) has the molecular formula C61H70ClF6N17O8S3 and a molecular weight of 1414.98 g/mol. Its IUPAC name is 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine
• PubChem CID: 161459071
• Molecular Formula: C61H70ClF6N17O8S3
• Molecular Weight: 1414.98 g/mol
• Exact Mass: 1413.43
• IUPAC Name: 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine
• SMILES: C.C.C.NCC(F)(F)F.Nc1cc(N2CCOCC2)ccn1.O=C(NCC(F)(F)F)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.O=C(O)c1cncc(-c2cnc(Cl)s2)c1.O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1
• InChI: InChI=1S/C20H19F3N6O2S.C18H17N5O3S.C9H5ClN2O2S.C9H13N3O.C2H4F3N.3CH4/c21-20(22,23)12-27-18(30)14-7-13(9-24-10-14)16-11-26-19(32-16)28-17-8-15(1-2-25-17)29-3-5-31-6-4-29;24-17(25)13-7-12(9-19-10-13)15-11-21-18(27-15)22-16-8-14(1-2-20-16)23-3-5-26-6-4-23;10-9-12-4-7(15-9)5-1-6(8(13)14)3-11-2-5;10-9-7-8(1-2-11-9)12-3-5-13-6-4-12;3-2(4,5)1-6;;;/h1-2,7-11H,3-6,12H2,(H,27,30)(H,25,26,28);1-2,7-11H,3-6H2,(H,24,25)(H,20,21,22);1-4H,(H,13,14);1-2,7H,3-6H2,(H2,10,11);1,6H2;3*1H4
• InChIKey: WBODHAODXGVHKP-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 333.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1414.98
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine?

The IUPAC name of 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine (CID 161459071) is 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine.

What is the SMILES notation for 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine?

The canonical SMILES for 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine is C.C.C.NCC(F)(F)F.Nc1cc(N2CCOCC2)ccn1.O=C(NCC(F)(F)F)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.O=C(O)c1cncc(-c2cnc(Cl)s2)c1.O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1.

What is the InChIKey of 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine?

The InChIKey is WBODHAODXGVHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2S.C18H17N5O3S.C9H5ClN2O2S.C9H13N3O.C2H4F3N.3CH4/c21-20(22,23)12-27-18(30)14-7-13(9-24-10-14)16-11-26-19(32-16)28-17-8-15(1-2-25-17)29-3-5-31-6-4-29;24-17(25)13-7-12(9-19-10-13)15-11-21-18(27-15)22-16-8-14(1-2-20-16)23-3-5-26-6-4-23;10-9-12-4-7(15-9)5-1-6(8(13)14)3-11-2-5;10-9-7-8(1-2-11-9)12-3-5-13-6-4-12;3-2(4,5)1-6;;;/h1-2,7-11H,3-6,12H2,(H,27,30)(H,25,26,28);1-2,7-11H,3-6H2,(H,24,25)(H,20,21,22);1-4H,(H,13,14);1-2,7H,3-6H2,(H2,10,11);1,6H2;3*1H4.

What are the key properties of 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine?

5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine has a molecular weight of 1414.98 g/mol, XLogP of 11.82, 14 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;methane;4-morpholin-4-ylpyridin-2-amine;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide;2,2,2-trifluoroethanamine is sourced from PubChem (CID 161459071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).