2-(3-amino-4-methylthiophen-2-yl)benzamide

C12H12N2OS — CID 152648724

IUPAC2-(3-amino-4-methylthiophen-2-yl)benzamide
SMILESCc1csc(-c2ccccc2C(N)=O)c1N
InChIInChI=1S/C12H12N2OS/c1-7-6-16-11(10(7)13)8-4-2-3-5-9(8)12(14)15/h2-6H,13H2,1H3,(H2,14,15)
InChIKeyZHCHORHNSQPWGV-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.40
Rot. Bonds2

About 2-(3-amino-4-methylthiophen-2-yl)benzamide

2-(3-amino-4-methylthiophen-2-yl)benzamide (PubChem CID 152648724) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(3-amino-4-methylthiophen-2-yl)benzamide.

Molecular Properties

Compound Name2-(3-amino-4-methylthiophen-2-yl)benzamide
PubChem CID152648724
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(3-amino-4-methylthiophen-2-yl)benzamide
SMILESCc1csc(-c2ccccc2C(N)=O)c1N
InChIInChI=1S/C12H12N2OS/c1-7-6-16-11(10(7)13)8-4-2-3-5-9(8)12(14)15/h2-6H,13H2,1H3,(H2,14,15)
InChIKeyZHCHORHNSQPWGV-UHFFFAOYSA-N
XLogP2.40
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404
2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide
CID 174522837
2-methylbenzamide;molecular hydrogen
CID 177161283
2-(2-carbamoyl-6-methylphenyl)benzoic acid
CID 170993072
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-(1,3-thiazol-4-yl)benzamide
CID 140649331
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
2-amino-3-(2-methylanilino)benzamide
CID 113332516
3-[2-(dimethylamino)phenyl]-2-methylbenzamide
CID 69457619
2-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 143596918
2-methylbenzamide;phenol
CID 160508327

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylthiophen-2-yl)benzamide?
The IUPAC name of 2-(3-amino-4-methylthiophen-2-yl)benzamide (CID 152648724) is 2-(3-amino-4-methylthiophen-2-yl)benzamide.
What is the SMILES notation for 2-(3-amino-4-methylthiophen-2-yl)benzamide?
The canonical SMILES for 2-(3-amino-4-methylthiophen-2-yl)benzamide is Cc1csc(-c2ccccc2C(N)=O)c1N.
What is the InChIKey of 2-(3-amino-4-methylthiophen-2-yl)benzamide?
The InChIKey is ZHCHORHNSQPWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-6-16-11(10(7)13)8-4-2-3-5-9(8)12(14)15/h2-6H,13H2,1H3,(H2,14,15).
What are the key properties of 2-(3-amino-4-methylthiophen-2-yl)benzamide?
2-(3-amino-4-methylthiophen-2-yl)benzamide has a molecular weight of 232.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylthiophen-2-yl)benzamide is sourced from PubChem (CID 152648724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).