N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

C27H38N6O2S — CID 175658988

About N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide

N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 175658988) has the molecular formula C27H38N6O2S and a molecular weight of 510.71 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 175658988
• Molecular Formula: C27H38N6O2S
• Molecular Weight: 510.71 g/mol
• Exact Mass: 510.28
• IUPAC Name: N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
• SMILES: CN(C(=O)c1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1)C1CCCCC1
• InChI: InChI=1S/C27H38N6O2S/c1-32(20-8-3-2-4-9-20)26(35)23-18-29-27(36-23)31-24-12-7-11-21(30-24)19-13-16-33(17-14-19)25(34)22-10-5-6-15-28-22/h7,11-12,18-20,22,28H,2-6,8-10,13-17H2,1H3,(H,29,30,31)/t22-/m0/s1
• InChIKey: ZXDIXIJHTHZIDC-QFIPXVFZSA-N
• XLogP: 4.53
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.71
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide (CID 175658988) is N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is CN(C(=O)c1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is ZXDIXIJHTHZIDC-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H38N6O2S/c1-32(20-8-3-2-4-9-20)26(35)23-18-29-27(36-23)31-24-12-7-11-21(30-24)19-13-16-33(17-14-19)25(34)22-10-5-6-15-28-22/h7,11-12,18-20,22,28H,2-6,8-10,13-17H2,1H3,(H,29,30,31)/t22-/m0/s1.

What are the key properties of N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 510.71 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175658988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).