2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide

C15H14N2O2S — CID 24641781

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1OCc1csc(C)n1
InChIInChI=1S/C15H14N2O2S/c1-3-8-16-15(18)13-6-4-5-7-14(13)19-9-12-10-20-11(2)17-12/h1,4-7,10H,8-9H2,2H3,(H,16,18)
InChIKeyVZVOQFRWTXVIEQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.39
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide

2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide (PubChem CID 24641781) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
PubChem CID24641781
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1OCc1csc(C)n1
InChIInChI=1S/C15H14N2O2S/c1-3-8-16-15(18)13-6-4-5-7-14(13)19-9-12-10-20-11(2)17-12/h1,4-7,10H,8-9H2,2H3,(H,16,18)
InChIKeyVZVOQFRWTXVIEQ-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
CID 24646797
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide
CID 24515758
[2-(2-chlorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731957
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24642515
2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 47366118
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732115
(4-methoxycarbonylphenyl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731714

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide (CID 24641781) is 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccccc1OCc1csc(C)n1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide?
The InChIKey is VZVOQFRWTXVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-8-16-15(18)13-6-4-5-7-14(13)19-9-12-10-20-11(2)17-12/h1,4-7,10H,8-9H2,2H3,(H,16,18).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide?
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide has a molecular weight of 286.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide is sourced from PubChem (CID 24641781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).