2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C13H15N3O2S — CID 115413011

IUPAC2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cnc(C)s2)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-8-15-6-10(19-8)7-16-13(17)11-4-3-9(18-2)5-12(11)14/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyZFKJUZMIJORWCJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 115413011) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID115413011
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cnc(C)s2)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-8-15-6-10(19-8)7-16-13(17)11-4-3-9(18-2)5-12(11)14/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyZFKJUZMIJORWCJ-UHFFFAOYSA-N
XLogP1.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114922785
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-nitrobenzamide
CID 62159905
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 115413011) is 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is COc1ccc(C(=O)NCc2cnc(C)s2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is ZFKJUZMIJORWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-15-6-10(19-8)7-16-13(17)11-4-3-9(18-2)5-12(11)14/h3-6H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 115413011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).