1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

C17H17ClN4O3S — CID 16915175

IUPAC1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H17ClN4O3S/c18-12-3-1-11(2-4-12)15(24)21-17-20-13(9-26-17)16(25)22-7-5-10(6-8-22)14(19)23/h1-4,9-10H,5-8H2,(H2,19,23)(H,20,21,24)
InChIKeyNPTRMHGPASOKCG-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 16915175) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID16915175
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H17ClN4O3S/c18-12-3-1-11(2-4-12)15(24)21-17-20-13(9-26-17)16(25)22-7-5-10(6-8-22)14(19)23/h1-4,9-10H,5-8H2,(H2,19,23)(H,20,21,24)
InChIKeyNPTRMHGPASOKCG-UHFFFAOYSA-N
XLogP2.39
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 16915175) is 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is NPTRMHGPASOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c18-12-3-1-11(2-4-12)15(24)21-17-20-13(9-26-17)16(25)22-7-5-10(6-8-22)14(19)23/h1-4,9-10H,5-8H2,(H2,19,23)(H,20,21,24).
What are the key properties of 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 392.87 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 16915175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).