2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C18H13FN6O2S — CID 78852050

IUPAC2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1
InChIInChI=1S/C18H13FN6O2S/c19-12-5-1-2-6-13(12)25-17(24-7-3-4-8-24)11(9-22-25)16(27)23-18-21-10-14(28-18)15(20)26/h1-10H,(H2,20,26)(H,21,23,27)
InChIKeyPRVQCBMBCIUUIQ-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.61
Rot. Bonds5

About 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78852050) has the molecular formula C18H13FN6O2S and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78852050
Molecular FormulaC18H13FN6O2S
Molecular Weight396.41 g/mol
Exact Mass396.08
IUPAC Name2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1
InChIInChI=1S/C18H13FN6O2S/c19-12-5-1-2-6-13(12)25-17(24-7-3-4-8-24)11(9-22-25)16(27)23-18-21-10-14(28-18)15(20)26/h1-10H,(H2,20,26)(H,21,23,27)
InChIKeyPRVQCBMBCIUUIQ-UHFFFAOYSA-N
XLogP2.61
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55580000
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
1-(2-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 167973002
1-(2-fluorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39626083
1-(2-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60573932
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732
methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
CID 39642778

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 78852050) is 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is PRVQCBMBCIUUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2S/c19-12-5-1-2-6-13(12)25-17(24-7-3-4-8-24)11(9-22-25)16(27)23-18-21-10-14(28-18)15(20)26/h1-10H,(H2,20,26)(H,21,23,27).
What are the key properties of 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78852050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).