4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C15H17ClN4OS — CID 78844020

IUPAC4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C15H17ClN4OS/c1-11-2-3-12(16)10-13(11)19-5-7-20(8-6-19)15(21)18-14-17-4-9-22-14/h2-4,9-10H,5-8H2,1H3,(H,17,18,21)
InChIKeyJAZKBTGHBFLKJA-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.46
Rot. Bonds2

About 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 78844020) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID78844020
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C15H17ClN4OS/c1-11-2-3-12(16)10-13(11)19-5-7-20(8-6-19)15(21)18-14-17-4-9-22-14/h2-4,9-10H,5-8H2,1H3,(H,17,18,21)
InChIKeyJAZKBTGHBFLKJA-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

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952
N-(2,5-dichlorophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47031878
4-(5-chloro-2-methylphenyl)-N-[(2S)-1-pyridin-2-ylpropan-2-yl]piperazine-1-carboxamide
CID 126427446
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025142

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 78844020) is 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is JAZKBTGHBFLKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-11-2-3-12(16)10-13(11)19-5-7-20(8-6-19)15(21)18-14-17-4-9-22-14/h2-4,9-10H,5-8H2,1H3,(H,17,18,21).
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-(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-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 78844020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).