4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C14H11FN2O2S — CID 60815660

IUPAC4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(F)cc2C#CCO)n1
InChIInChI=1S/C14H11FN2O2S/c1-9-8-20-14(16-9)17-13(19)12-5-4-11(15)7-10(12)3-2-6-18/h4-5,7-8,18H,6H2,1H3,(H,16,17,19)
InChIKeyOVCJUQZUGLKMMF-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.19
Rot. Bonds2

About 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 60815660) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID60815660
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(F)cc2C#CCO)n1
InChIInChI=1S/C14H11FN2O2S/c1-9-8-20-14(16-9)17-13(19)12-5-4-11(15)7-10(12)3-2-6-18/h4-5,7-8,18H,6H2,1H3,(H,16,17,19)
InChIKeyOVCJUQZUGLKMMF-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107520997
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54921677
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60815511
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817208
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283821
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54922036
4-(4-fluorophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820774
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzamide
CID 113400039
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821335
6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 17028163

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 60815660) is 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(F)cc2C#CCO)n1.
What is the InChIKey of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OVCJUQZUGLKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-9-8-20-14(16-9)17-13(19)12-5-4-11(15)7-10(12)3-2-6-18/h4-5,7-8,18H,6H2,1H3,(H,16,17,19).
What are the key properties of 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 290.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 60815660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).