N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide

C17H20ClN3OS — CID 126782049

IUPACN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCNC2)sc1Cc1ccccc1Cl
InChIInChI=1S/C17H20ClN3OS/c1-11-15(9-12-5-2-3-7-14(12)18)23-17(20-11)21-16(22)13-6-4-8-19-10-13/h2-3,5,7,13,19H,4,6,8-10H2,1H3,(H,20,21,22)
InChIKeyITLHFAJNPRNULT-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.63
Rot. Bonds4

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

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 126782049) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID126782049
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CCCNC2)sc1Cc1ccccc1Cl
InChIInChI=1S/C17H20ClN3OS/c1-11-15(9-12-5-2-3-7-14(12)18)23-17(20-11)21-16(22)13-6-4-8-19-10-13/h2-3,5,7,13,19H,4,6,8-10H2,1H3,(H,20,21,22)
InChIKeyITLHFAJNPRNULT-UHFFFAOYSA-N
XLogP3.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119736971
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
CID 86874999
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119319932
4-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122094987
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1H-indazole-7-carboxamide
CID 55959104

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 126782049) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide is Cc1nc(NC(=O)C2CCCNC2)sc1Cc1ccccc1Cl.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is ITLHFAJNPRNULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-11-15(9-12-5-2-3-7-14(12)18)23-17(20-11)21-16(22)13-6-4-8-19-10-13/h2-3,5,7,13,19H,4,6,8-10H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 126782049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).