N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide

C20H20ClN5OS — CID 118204293

About N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide

N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide (PubChem CID 118204293) has the molecular formula C20H20ClN5OS and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 118204293
• Molecular Formula: C20H20ClN5OS
• Molecular Weight: 413.93 g/mol
• Exact Mass: 413.11
• IUPAC Name: N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCC3)cc2Cl)cn1
• InChI: InChI=1S/C20H20ClN5OS/c1-12-5-6-15(11-23-12)25-18-16(21)9-14(10-24-18)17(13-3-2-4-13)26-19(27)20-22-7-8-28-20/h5-11,13,17H,2-4H2,1H3,(H,24,25)(H,26,27)/t17-/m1/s1
• InChIKey: SCHCEXMOLBCSMV-QGZVFWFLSA-N
• XLogP: 4.91
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.93
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide (CID 118204293) is N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide is Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCC3)cc2Cl)cn1.

What is the InChIKey of N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide?

The InChIKey is SCHCEXMOLBCSMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN5OS/c1-12-5-6-15(11-23-12)25-18-16(21)9-14(10-24-18)17(13-3-2-4-13)26-19(27)20-22-7-8-28-20/h5-11,13,17H,2-4H2,1H3,(H,24,25)(H,26,27)/t17-/m1/s1.

What are the key properties of N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide?

N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclobutylmethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118204293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).