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

C17H11FN4O2S2 — CID 39042306

IUPAC2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C17H11FN4O2S2/c1-9-13(16-20-14(22-24-16)12-7-4-8-25-12)26-17(19-9)21-15(23)10-5-2-3-6-11(10)18/h2-8H,1H3,(H,19,21,23)
InChIKeySCKPJTDAODDBPO-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.62
Rot. Bonds4

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

2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 39042306) has the molecular formula C17H11FN4O2S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID39042306
Molecular FormulaC17H11FN4O2S2
Molecular Weight386.43 g/mol
Exact Mass386.03
IUPAC Name2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C17H11FN4O2S2/c1-9-13(16-20-14(22-24-16)12-7-4-8-25-12)26-17(19-9)21-15(23)10-5-2-3-6-11(10)18/h2-8H,1H3,(H,19,21,23)
InChIKeySCKPJTDAODDBPO-UHFFFAOYSA-N
XLogP4.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39043657
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 50754591
N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 50755399
4-fluoro-N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 39042536
(E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 45494342
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041
4-bromo-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39040541
2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144215
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39042983
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide (CID 39042306) is 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SCKPJTDAODDBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2S2/c1-9-13(16-20-14(22-24-16)12-7-4-8-25-12)26-17(19-9)21-15(23)10-5-2-3-6-11(10)18/h2-8H,1H3,(H,19,21,23).
What are the key properties of 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 39042306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).