4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide

C21H27ClN4OS — CID 30464073

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C21H27ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-20(24-19)14-25-10-12-26(13-11-25)21(27)23-18-4-2-1-3-5-18/h6-9,15,18H,1-5,10-14H2,(H,23,27)
InChIKeyYIWIOQVFJNDPSA-UHFFFAOYSA-N
MW418.99 g/mol
LogP4.62
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 30464073) has the molecular formula C21H27ClN4OS and a molecular weight of 418.99 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID30464073
Molecular FormulaC21H27ClN4OS
Molecular Weight418.99 g/mol
Exact Mass418.16
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C21H27ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-20(24-19)14-25-10-12-26(13-11-25)21(27)23-18-4-2-1-3-5-18/h6-9,15,18H,1-5,10-14H2,(H,23,27)
InChIKeyYIWIOQVFJNDPSA-UHFFFAOYSA-N
XLogP4.62
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperazine-1-carbothioamide
CID 3223728
2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780229
N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 75120083
4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 58717032
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide (CID 30464073) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is YIWIOQVFJNDPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4OS/c22-17-8-6-16(7-9-17)19-15-28-20(24-19)14-25-10-12-26(13-11-25)21(27)23-18-4-2-1-3-5-18/h6-9,15,18H,1-5,10-14H2,(H,23,27).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 418.99 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 30464073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).