2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide

C18H13FN4OS2 — CID 42109164

IUPAC2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C18H13FN4OS2/c1-11-9-16(21-17(24)12-5-2-3-6-13(12)19)23(22-11)18-20-14(10-26-18)15-7-4-8-25-15/h2-10H,1H3,(H,21,24)
InChIKeyNSBCOMQLQPYQDZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.76
Rot. Bonds4

About 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide

2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide (PubChem CID 42109164) has the molecular formula C18H13FN4OS2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
PubChem CID42109164
Molecular FormulaC18H13FN4OS2
Molecular Weight384.46 g/mol
Exact Mass384.05
IUPAC Name2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C18H13FN4OS2/c1-11-9-16(21-17(24)12-5-2-3-6-13(12)19)23(22-11)18-20-14(10-26-18)15-7-4-8-25-15/h2-10H,1H3,(H,21,24)
InChIKeyNSBCOMQLQPYQDZ-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide (CID 42109164) is 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1.
What is the InChIKey of 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is NSBCOMQLQPYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS2/c1-11-9-16(21-17(24)12-5-2-3-6-13(12)19)23(22-11)18-20-14(10-26-18)15-7-4-8-25-15/h2-10H,1H3,(H,21,24).
What are the key properties of 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide?
2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 42109164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).