2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

C19H16FN5OS2 — CID 46971829

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cs2)n1
InChIInChI=1S/C19H16FN5OS2/c1-11-7-12(2)25(24-11)19-22-16(10-27-19)17(26)23-18-21-9-15(28-18)8-13-3-5-14(20)6-4-13/h3-7,9-10H,8H2,1-2H3,(H,21,23,26)
InChIKeyFIWVYONNNXTKBE-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.38
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 46971829) has the molecular formula C19H16FN5OS2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID46971829
Molecular FormulaC19H16FN5OS2
Molecular Weight413.50 g/mol
Exact Mass413.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)n(-c2nc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cs2)n1
InChIInChI=1S/C19H16FN5OS2/c1-11-7-12(2)25(24-11)19-22-16(10-27-19)17(26)23-18-21-9-15(28-18)8-13-3-5-14(20)6-4-13/h3-7,9-10H,8H2,1-2H3,(H,21,23,26)
InChIKeyFIWVYONNNXTKBE-UHFFFAOYSA-N
XLogP4.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 46971829) is 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C)n(-c2nc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FIWVYONNNXTKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS2/c1-11-7-12(2)25(24-11)19-22-16(10-27-19)17(26)23-18-21-9-15(28-18)8-13-3-5-14(20)6-4-13/h3-7,9-10H,8H2,1-2H3,(H,21,23,26).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46971829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).