2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide

C17H20ClN3OS — CID 119556621

IUPAC2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC1CCCNC1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN3OS/c18-14-6-2-1-5-13(14)17-21-15(11-23-17)16(22)20-9-7-12-4-3-8-19-10-12/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,22)
InChIKeyNFGTZVWUAMQLCA-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.58
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide

2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119556621) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID119556621
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC1CCCNC1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H20ClN3OS/c18-14-6-2-1-5-13(14)17-21-15(11-23-17)16(22)20-9-7-12-4-3-8-19-10-12/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,22)
InChIKeyNFGTZVWUAMQLCA-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
2-(2,6-dichlorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166358028
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119555330
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120554755

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide (CID 119556621) is 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCC1CCCNC1)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NFGTZVWUAMQLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-14-6-2-1-5-13(14)17-21-15(11-23-17)16(22)20-9-7-12-4-3-8-19-10-12/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide?
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119556621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).