N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C24H23FN4O2S — CID 24955769

IUPACN-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCn2ccc(-c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)n2)cc1
InChIInChI=1S/C24H23FN4O2S/c1-16-22(23(30)26-15-18-3-7-19(25)8-4-18)32-24(27-16)21-12-14-29(28-21)13-11-17-5-9-20(31-2)10-6-17/h3-10,12,14H,11,13,15H2,1-2H3,(H,26,30)
InChIKeyVBAAUGQBYHBVNT-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.64
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24955769) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24955769
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCn2ccc(-c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)n2)cc1
InChIInChI=1S/C24H23FN4O2S/c1-16-22(23(30)26-15-18-3-7-19(25)8-4-18)32-24(27-16)21-12-14-29(28-21)13-11-17-5-9-20(31-2)10-6-17/h3-10,12,14H,11,13,15H2,1-2H3,(H,26,30)
InChIKeyVBAAUGQBYHBVNT-UHFFFAOYSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24955769) is N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(CCn2ccc(-c3nc(C)c(C(=O)NCc4ccc(F)cc4)s3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VBAAUGQBYHBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-16-22(23(30)26-15-18-3-7-19(25)8-4-18)32-24(27-16)21-12-14-29(28-21)13-11-17-5-9-20(31-2)10-6-17/h3-10,12,14H,11,13,15H2,1-2H3,(H,26,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24955769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).