2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide

C12H12N2O2S — CID 49346216

IUPAC2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)NCc1cscn1
InChIInChI=1S/C12H12N2O2S/c1-16-11-5-3-2-4-10(11)12(15)13-6-9-7-17-8-14-9/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyJBOIMTRVPYRYJV-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.08
Rot. Bonds4

About 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide

2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 49346216) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID49346216
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCOc1ccccc1C(=O)NCc1cscn1
InChIInChI=1S/C12H12N2O2S/c1-16-11-5-3-2-4-10(11)12(15)13-6-9-7-17-8-14-9/h2-5,7-8H,6H2,1H3,(H,13,15)
InChIKeyJBOIMTRVPYRYJV-UHFFFAOYSA-N
XLogP2.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
2-methoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718900
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367
1-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390077
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 136523952

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 49346216) is 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide is COc1ccccc1C(=O)NCc1cscn1.
What is the InChIKey of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is JBOIMTRVPYRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-11-5-3-2-4-10(11)12(15)13-6-9-7-17-8-14-9/h2-5,7-8H,6H2,1H3,(H,13,15).
What are the key properties of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 49346216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).