2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C18H13FN4O2S — CID 56848351

IUPAC2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C18H13FN4O2S/c1-23-14(9-13(22-23)15-7-4-8-25-15)16-10-20-18(26-16)21-17(24)11-5-2-3-6-12(11)19/h2-10H,1H3,(H,20,21,24)
InChIKeyLNDLOCZGHPWXCP-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.20
Rot. Bonds4

About 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848351) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848351
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C18H13FN4O2S/c1-23-14(9-13(22-23)15-7-4-8-25-15)16-10-20-18(26-16)21-17(24)11-5-2-3-6-12(11)19/h2-10H,1H3,(H,20,21,24)
InChIKeyLNDLOCZGHPWXCP-UHFFFAOYSA-N
XLogP4.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848351) is 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is LNDLOCZGHPWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c1-23-14(9-13(22-23)15-7-4-8-25-15)16-10-20-18(26-16)21-17(24)11-5-2-3-6-12(11)19/h2-10H,1H3,(H,20,21,24).
What are the key properties of 2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 368.39 g/mol, XLogP of 4.20, 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-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).