(3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

C13H12ClNOS — CID 102765188

IUPAC(3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2C)sc1Cl
InChIInChI=1S/C13H12ClNOS/c1-7-6-11(17-13(7)14)12(16)9-4-3-5-10(15)8(9)2/h3-6H,15H2,1-2H3
InChIKeyYQEUZDBIEPSJEW-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.83
Rot. Bonds2

About (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

(3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102765188) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102765188
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name(3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2C)sc1Cl
InChIInChI=1S/C13H12ClNOS/c1-7-6-11(17-13(7)14)12(16)9-4-3-5-10(15)8(9)2/h3-6H,15H2,1-2H3
InChIKeyYQEUZDBIEPSJEW-UHFFFAOYSA-N
XLogP3.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102765188) is (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2cccc(N)c2C)sc1Cl.
What is the InChIKey of (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is YQEUZDBIEPSJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-7-6-11(17-13(7)14)12(16)9-4-3-5-10(15)8(9)2/h3-6H,15H2,1-2H3.
What are the key properties of (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
(3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone has a molecular weight of 265.77 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102765188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).