ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride

C23H27ClN6O3S — CID 18771747

About ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride

ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride (PubChem CID 18771747) has the molecular formula C23H27ClN6O3S and a molecular weight of 503.03 g/mol. Its IUPAC name is ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride
• PubChem CID: 18771747
• Molecular Formula: C23H27ClN6O3S
• Molecular Weight: 503.03 g/mol
• Exact Mass: 502.16
• IUPAC Name: ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride
• SMILES: CCOC(=O)C1CCCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1.Cl
• InChI: InChI=1S/C23H26N6O3S.ClH/c1-2-32-22(30)17-5-4-12-29(13-17)14-18-6-3-7-19(25-18)27-23(31)28-20-15-33-21(26-20)16-8-10-24-11-9-16;/h3,6-11,15,17H,2,4-5,12-14H2,1H3,(H2,25,27,28,31);1H
• InChIKey: FDXUPEYBAZYHOB-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 109.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.03
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride?

The IUPAC name of ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride (CID 18771747) is ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride.

What is the SMILES notation for ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride?

The canonical SMILES for ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1.Cl.

What is the InChIKey of ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride?

The InChIKey is FDXUPEYBAZYHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S.ClH/c1-2-32-22(30)17-5-4-12-29(13-17)14-18-6-3-7-19(25-18)27-23(31)28-20-15-33-21(26-20)16-8-10-24-11-9-16;/h3,6-11,15,17H,2,4-5,12-14H2,1H3,(H2,25,27,28,31);1H.

What are the key properties of ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride?

ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride has a molecular weight of 503.03 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]methyl]piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 18771747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).