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

C17H20ClN3OS — CID 162672065

IUPACN-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1csc(-c2cccc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C17H20ClN3OS/c18-14-6-4-5-13(11-14)16-20-15(12-23-16)7-8-19-17(22)21-9-2-1-3-10-21/h4-6,11-12H,1-3,7-10H2,(H,19,22)
InChIKeyWACIRZLFJPQPKW-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.20
Rot. Bonds4

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

N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (PubChem CID 162672065) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
PubChem CID162672065
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1csc(-c2cccc(Cl)c2)n1)N1CCCCC1
InChIInChI=1S/C17H20ClN3OS/c18-14-6-4-5-13(11-14)16-20-15(12-23-16)7-8-19-17(22)21-9-2-1-3-10-21/h4-6,11-12H,1-3,7-10H2,(H,19,22)
InChIKeyWACIRZLFJPQPKW-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162654990
N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110351972
(2R)-1-(3-chlorophenyl)sulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831240
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
CID 46981953
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 110333427
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (CID 162672065) is N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is O=C(NCCc1csc(-c2cccc(Cl)c2)n1)N1CCCCC1.
What is the InChIKey of N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is WACIRZLFJPQPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-14-6-4-5-13(11-14)16-20-15(12-23-16)7-8-19-17(22)21-9-2-1-3-10-21/h4-6,11-12H,1-3,7-10H2,(H,19,22).
What are the key properties of N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 162672065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).