N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

C20H15FN4O2S — CID 78878975

IUPACN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C20H15FN4O2S/c1-27-18-8-7-13(21)9-14(18)17-11-28-20(22-17)23-19(26)16-10-15(24-25-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,25)(H,22,23,26)
InChIKeyRMULSAFAIVKZAT-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 78878975) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID78878975
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C20H15FN4O2S/c1-27-18-8-7-13(21)9-14(18)17-11-28-20(22-17)23-19(26)16-10-15(24-25-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,25)(H,22,23,26)
InChIKeyRMULSAFAIVKZAT-UHFFFAOYSA-N
XLogP4.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 121084015
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55722630
4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 55722825
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55722948
3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55722696
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55722730
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1157510
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046187
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55722692
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55722660

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 78878975) is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is COc1ccc(F)cc1-c1csc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is RMULSAFAIVKZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-27-18-8-7-13(21)9-14(18)17-11-28-20(22-17)23-19(26)16-10-15(24-25-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,24,25)(H,22,23,26).
What are the key properties of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78878975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).