4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C15H17ClN4OS — CID 162665773

IUPAC4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H17ClN4OS/c1-11-10-17-14(22-11)18-15(21)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyPNYJRFJPTOCCDS-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 162665773) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID162665773
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H17ClN4OS/c1-11-10-17-14(22-11)18-15(21)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyPNYJRFJPTOCCDS-UHFFFAOYSA-N
XLogP3.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Urea, N-(3-chlorophenyl)-N'-2-thiazolyl-
CID 178054
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 603425
1-(3,4-Dichlorophenyl)-3-(1,3-thiazol-2-yl)urea
CID 722640
1-(4-Chlorophenyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 9840457
4-(3-chloro-4-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420088
4-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420108
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420119
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420120
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130
4-(4-chloro-3-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420137

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 162665773) is 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is PNYJRFJPTOCCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-11-10-17-14(22-11)18-15(21)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21).
What are the key properties of 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 336.85 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162665773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).