4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide

C16H15FN4OS — CID 141198060

IUPAC4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide
SMILESCc1csc(-c2ccn(CCNC(=O)c3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H15FN4OS/c1-11-10-23-16(19-11)14-6-8-21(20-14)9-7-18-15(22)12-2-4-13(17)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,18,22)
InChIKeySFKOMXVCSLDHHH-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.88
Rot. Bonds5

About 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide

4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide (PubChem CID 141198060) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide
PubChem CID141198060
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide
SMILESCc1csc(-c2ccn(CCNC(=O)c3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H15FN4OS/c1-11-10-23-16(19-11)14-6-8-21(20-14)9-7-18-15(22)12-2-4-13(17)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,18,22)
InChIKeySFKOMXVCSLDHHH-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588267
2-[1-[2-[(4-fluorobenzoyl)amino]ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59489563
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985
methyl 4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethylcarbamoyl]benzoate
CID 71808131
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
CID 110716409
4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
CID 29028004
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86832956
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide (CID 141198060) is 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide is Cc1csc(-c2ccn(CCNC(=O)c3ccc(F)cc3)n2)n1.
What is the InChIKey of 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide?
The InChIKey is SFKOMXVCSLDHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-11-10-23-16(19-11)14-6-8-21(20-14)9-7-18-15(22)12-2-4-13(17)5-3-12/h2-6,8,10H,7,9H2,1H3,(H,18,22).
What are the key properties of 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 141198060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).