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

C15H13FN4OS — CID 131931773

IUPACN-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN4OS/c1-20-13(6-7-18-20)15(21)17-8-14-19-12(9-22-14)10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,21)
InChIKeyWLBZEZDFDZJJGV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.61
Rot. Bonds4

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

N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 131931773) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID131931773
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC NameN-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H13FN4OS/c1-20-13(6-7-18-20)15(21)17-8-14-19-12(9-22-14)10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,21)
InChIKeyWLBZEZDFDZJJGV-UHFFFAOYSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379887
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4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 71938352
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72847767
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide (CID 131931773) is N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is WLBZEZDFDZJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-20-13(6-7-18-20)15(21)17-8-14-19-12(9-22-14)10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,21).
What are the key properties of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 131931773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).