N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide

C19H15FN4OS2 — CID 118010165

IUPACN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C19H15FN4OS2/c1-2-15-13(11-24(23-15)19-21-9-10-26-19)16-7-8-17(27-16)22-18(25)12-5-3-4-6-14(12)20/h3-11H,2H2,1H3,(H,22,25)
InChIKeyPLMRWVUNYQHXAU-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.01
Rot. Bonds5

About N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide

N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide (PubChem CID 118010165) has the molecular formula C19H15FN4OS2 and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide
PubChem CID118010165
Molecular FormulaC19H15FN4OS2
Molecular Weight398.49 g/mol
Exact Mass398.07
IUPAC NameN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C19H15FN4OS2/c1-2-15-13(11-24(23-15)19-21-9-10-26-19)16-7-8-17(27-16)22-18(25)12-5-3-4-6-14(12)20/h3-11H,2H2,1H3,(H,22,25)
InChIKeyPLMRWVUNYQHXAU-UHFFFAOYSA-N
XLogP5.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-(1H-pyrazol-1-yl)benzamide
CID 118034890
N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(1H-pyrazol-1-yl)benzamide
CID 118025684
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287682
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide (CID 118010165) is N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide is CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide?
The InChIKey is PLMRWVUNYQHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS2/c1-2-15-13(11-24(23-15)19-21-9-10-26-19)16-7-8-17(27-16)22-18(25)12-5-3-4-6-14(12)20/h3-11H,2H2,1H3,(H,22,25).
What are the key properties of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide?
N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide has a molecular weight of 398.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 118010165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).