3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide

C14H14N2O2S — CID 6473256

IUPAC3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C14H14N2O2S/c1-10(2)9-18-12-5-3-4-11(8-12)13(17)16-14-15-6-7-19-14/h3-8H,1,9H2,2H3,(H,15,16,17)
InChIKeyKOLFBCBHFHPGKY-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.35
Rot. Bonds5

About 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide

3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 6473256) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID6473256
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C14H14N2O2S/c1-10(2)9-18-12-5-3-4-11(8-12)13(17)16-14-15-6-7-19-14/h3-8H,1,9H2,2H3,(H,15,16,17)
InChIKeyKOLFBCBHFHPGKY-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
N-(2,5-dimethylphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17133060
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361413
3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17133124
4-[[2-(3-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361484
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 6473256) is 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide is C=C(C)COc1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is KOLFBCBHFHPGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10(2)9-18-12-5-3-4-11(8-12)13(17)16-14-15-6-7-19-14/h3-8H,1,9H2,2H3,(H,15,16,17).
What are the key properties of 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 274.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 6473256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).