4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

C12H13N3O2S — CID 106921469

IUPAC4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCNC(=O)c1ccc(N)c(Sc2nc(C)co2)c1
InChIInChI=1S/C12H13N3O2S/c1-7-6-17-12(15-7)18-10-5-8(11(16)14-2)3-4-9(10)13/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyCGODBVZUBDRANN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 106921469) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID106921469
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCNC(=O)c1ccc(N)c(Sc2nc(C)co2)c1
InChIInChI=1S/C12H13N3O2S/c1-7-6-17-12(15-7)18-10-5-8(11(16)14-2)3-4-9(10)13/h3-6H,13H2,1-2H3,(H,14,16)
InChIKeyCGODBVZUBDRANN-UHFFFAOYSA-N
XLogP2.08
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.08
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

5-Fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921571
2-Amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924148
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 140431135
N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]-2-methylsulfanylphenyl]acetamide
CID 55868853
4-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 60436689
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381
4-Amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921393
4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921402
4-amino-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921467
4-amino-N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921468
1-[2-Amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921477
3-Amino-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921509

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 106921469) is 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is CNC(=O)c1ccc(N)c(Sc2nc(C)co2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is CGODBVZUBDRANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-6-17-12(15-7)18-10-5-8(11(16)14-2)3-4-9(10)13/h3-6H,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 106921469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).