2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide

C15H12ClFN4OS — CID 167789997

IUPAC2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cnc(Cl)s1
InChIInChI=1S/C15H12ClFN4OS/c16-15-19-9-13(23-15)14(22)18-7-5-11-6-8-21(20-11)12-3-1-10(17)2-4-12/h1-4,6,8-9H,5,7H2,(H,18,22)
InChIKeyUPRGOYQFHZIJFN-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.09
Rot. Bonds5

About 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide

2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 167789997) has the molecular formula C15H12ClFN4OS and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID167789997
Molecular FormulaC15H12ClFN4OS
Molecular Weight350.81 g/mol
Exact Mass350.04
IUPAC Name2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cnc(Cl)s1
InChIInChI=1S/C15H12ClFN4OS/c16-15-19-9-13(23-15)14(22)18-7-5-11-6-8-21(20-11)12-3-1-10(17)2-4-12/h1-4,6,8-9H,5,7H2,(H,18,22)
InChIKeyUPRGOYQFHZIJFN-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 146126737
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512857
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111516677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 167789997) is 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide is O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UPRGOYQFHZIJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4OS/c16-15-19-9-13(23-15)14(22)18-7-5-11-6-8-21(20-11)12-3-1-10(17)2-4-12/h1-4,6,8-9H,5,7H2,(H,18,22).
What are the key properties of 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide?
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167789997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).