3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide

C12H14N4O2S — CID 106379388

IUPAC3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2csc(=O)[nH]2)c(N)c1
InChIInChI=1S/C12H14N4O2S/c1-14-11(17)7-2-3-10(9(13)4-7)15-5-8-6-19-12(18)16-8/h2-4,6,15H,5,13H2,1H3,(H,14,17)(H,16,18)
InChIKeyFBELSSWELDRQQU-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.99
Rot. Bonds4

About 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide

3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide (PubChem CID 106379388) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
PubChem CID106379388
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2csc(=O)[nH]2)c(N)c1
InChIInChI=1S/C12H14N4O2S/c1-14-11(17)7-2-3-10(9(13)4-7)15-5-8-6-19-12(18)16-8/h2-4,6,15H,5,13H2,1H3,(H,14,17)(H,16,18)
InChIKeyFBELSSWELDRQQU-UHFFFAOYSA-N
XLogP0.99
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-nitro-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 103775110
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
4-[(4-amino-2-methylanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379468
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
4-[(2-amino-5-methoxyanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379499
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 106381505
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
CID 82989252
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
4-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181203
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 106383250

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide (CID 106379388) is 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2csc(=O)[nH]2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
The InChIKey is FBELSSWELDRQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-14-11(17)7-2-3-10(9(13)4-7)15-5-8-6-19-12(18)16-8/h2-4,6,15H,5,13H2,1H3,(H,14,17)(H,16,18).
What are the key properties of 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide?
3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide has a molecular weight of 278.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 106379388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).