4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C15H13FN2O2S — CID 60815511

IUPAC4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(F)cc2C#CCCO)s1
InChIInChI=1S/C15H13FN2O2S/c1-10-9-17-15(21-10)18-14(20)13-6-5-12(16)8-11(13)4-2-3-7-19/h5-6,8-9,19H,3,7H2,1H3,(H,17,18,20)
InChIKeyOPFNFARSAFLDLO-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.58
Rot. Bonds3

About 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 60815511) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID60815511
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccc(F)cc2C#CCCO)s1
InChIInChI=1S/C15H13FN2O2S/c1-10-9-17-15(21-10)18-14(20)13-6-5-12(16)8-11(13)4-2-3-7-19/h5-6,8-9,19H,3,7H2,1H3,(H,17,18,20)
InChIKeyOPFNFARSAFLDLO-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.58
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

4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817208
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 51889946
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 60815660
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
CID 60815649
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60821186
2-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 60805098
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 104639390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 60815511) is 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccc(F)cc2C#CCCO)s1.
What is the InChIKey of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OPFNFARSAFLDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-10-9-17-15(21-10)18-14(20)13-6-5-12(16)8-11(13)4-2-3-7-19/h5-6,8-9,19H,3,7H2,1H3,(H,17,18,20).
What are the key properties of 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 60815511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).