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

C19H20ClN5OS — CID 122185252

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

N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide (PubChem CID 122185252) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 122185252
• Molecular Formula: C19H20ClN5OS
• Molecular Weight: 401.92 g/mol
• Exact Mass: 401.11
• IUPAC Name: N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1ccc(Nc2ncc([C@@H](NC(=O)c3nccs3)C(C)C)cc2Cl)cn1
• InChI: InChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m0/s1
• InChIKey: BTZWZEOPAGNHAS-INIZCTEOSA-N
• XLogP: 4.77
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.92
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide (CID 122185252) is N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide.

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

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

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

The InChIKey is BTZWZEOPAGNHAS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m0/s1.

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

N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122185252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).