N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

C17H20ClN3OS — CID 3842964

IUPACN-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1csc(C2CCNCC2)n1
InChIInChI=1S/C17H20ClN3OS/c18-14-3-1-2-12(10-14)4-9-20-16(22)15-11-23-17(21-15)13-5-7-19-8-6-13/h1-3,10-11,13,19H,4-9H2,(H,20,22)
InChIKeyNOGLWOMUWVVJAF-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.24
Rot. Bonds5

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

N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 3842964) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID3842964
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1csc(C2CCNCC2)n1
InChIInChI=1S/C17H20ClN3OS/c18-14-3-1-2-12(10-14)4-9-20-16(22)15-11-23-17(21-15)13-5-7-19-8-6-13/h1-3,10-11,13,19H,4-9H2,(H,20,22)
InChIKeyNOGLWOMUWVVJAF-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23798960
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3828657
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3678848
N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110856224

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 3842964) is N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1csc(C2CCNCC2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NOGLWOMUWVVJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-14-3-1-2-12(10-14)4-9-20-16(22)15-11-23-17(21-15)13-5-7-19-8-6-13/h1-3,10-11,13,19H,4-9H2,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3842964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).