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

C12H14N4OS — CID 112578497

IUPAC3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCc1csc(CNc2c(N)cccc2C(N)=O)n1
InChIInChI=1S/C12H14N4OS/c1-7-6-18-10(16-7)5-15-11-8(12(14)17)3-2-4-9(11)13/h2-4,6,15H,5,13H2,1H3,(H2,14,17)
InChIKeyJJYPJDPRHRZYCA-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.74
Rot. Bonds4

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

3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (PubChem CID 112578497) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
PubChem CID112578497
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCc1csc(CNc2c(N)cccc2C(N)=O)n1
InChIInChI=1S/C12H14N4OS/c1-7-6-18-10(16-7)5-15-11-8(12(14)17)3-2-4-9(11)13/h2-4,6,15H,5,13H2,1H3,(H2,14,17)
InChIKeyJJYPJDPRHRZYCA-UHFFFAOYSA-N
XLogP1.74
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 112578680
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 106383250
3-amino-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 114180884
2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 63659710
2-[methyl(methylsulfonyl)amino]-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 143974434
3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 112578762
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
CID 54913654
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 62516219

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The IUPAC name of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (CID 112578497) is 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is Cc1csc(CNc2c(N)cccc2C(N)=O)n1.
What is the InChIKey of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The InChIKey is JJYPJDPRHRZYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-6-18-10(16-7)5-15-11-8(12(14)17)3-2-4-9(11)13/h2-4,6,15H,5,13H2,1H3,(H2,14,17).
What are the key properties of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide has a molecular weight of 262.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 112578497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).