4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide

C14H10BrFN4OS — CID 23765056

IUPAC4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H10BrFN4OS/c1-20-12(10(15)6-17-20)13(21)19-14-18-11(7-22-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,19,21)
InChIKeyKRDMNLZWUFBSFU-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.70
Rot. Bonds3

About 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide

4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 23765056) has the molecular formula C14H10BrFN4OS and a molecular weight of 381.23 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
PubChem CID23765056
Molecular FormulaC14H10BrFN4OS
Molecular Weight381.23 g/mol
Exact Mass379.97
IUPAC Name4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C14H10BrFN4OS/c1-20-12(10(15)6-17-20)13(21)19-14-18-11(7-22-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,19,21)
InChIKeyKRDMNLZWUFBSFU-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095813
ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19475057
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide (CID 23765056) is 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is KRDMNLZWUFBSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4OS/c1-20-12(10(15)6-17-20)13(21)19-14-18-11(7-22-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,19,21).
What are the key properties of 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide?
4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 23765056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).