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

C19H20ClN5O2S — CID 118204338

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

N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (PubChem CID 118204338) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 118204338
• Molecular Formula: C19H20ClN5O2S
• Molecular Weight: 417.92 g/mol
• Exact Mass: 417.10
• IUPAC Name: N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide
• SMILES: CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(OC)nc2)c(Cl)c1
• InChI: InChI=1S/C19H20ClN5O2S/c1-3-4-15(25-18(26)19-21-7-8-28-19)12-9-14(20)17(23-10-12)24-13-5-6-16(27-2)22-11-13/h5-11,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t15-/m1/s1
• InChIKey: DZBZVBJGXOPZQC-OAHLLOKOSA-N
• XLogP: 4.61
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.92
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide (CID 118204338) is N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide.

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

The canonical SMILES for N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(OC)nc2)c(Cl)c1.

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

The InChIKey is DZBZVBJGXOPZQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20ClN5O2S/c1-3-4-15(25-18(26)19-21-7-8-28-19)12-9-14(20)17(23-10-12)24-13-5-6-16(27-2)22-11-13/h5-11,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t15-/m1/s1.

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

N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]butyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118204338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).