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

C20H17FN4OS2 — CID 71795544

IUPACN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2cccs2)nn1C
InChIInChI=1S/C20H17FN4OS2/c1-12-18(28-20(23-12)13-6-3-4-7-14(13)21)11-22-19(26)16-10-15(24-25(16)2)17-8-5-9-27-17/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyGPYMLFUYWPXRPZ-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.65
Rot. Bonds5

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

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 71795544) has the molecular formula C20H17FN4OS2 and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID71795544
Molecular FormulaC20H17FN4OS2
Molecular Weight412.52 g/mol
Exact Mass412.08
IUPAC NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2cccs2)nn1C
InChIInChI=1S/C20H17FN4OS2/c1-12-18(28-20(23-12)13-6-3-4-7-14(13)21)11-22-19(26)16-10-15(24-25(16)2)17-8-5-9-27-17/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyGPYMLFUYWPXRPZ-UHFFFAOYSA-N
XLogP4.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 71795544) is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2cccs2)nn1C.
What is the InChIKey of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is GPYMLFUYWPXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS2/c1-12-18(28-20(23-12)13-6-3-4-7-14(13)21)11-22-19(26)16-10-15(24-25(16)2)17-8-5-9-27-17/h3-10H,11H2,1-2H3,(H,22,26).
What are the key properties of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 71795544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).