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

C13H12ClNOS — CID 102765197

IUPAC(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1ccc(N)cc1C(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H12ClNOS/c1-7-3-4-9(15)6-10(7)12(16)11-5-8(2)13(14)17-11/h3-6H,15H2,1-2H3
InChIKeyXQPVJOTWGONDPL-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.83
Rot. Bonds2

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

(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102765197) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102765197
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1ccc(N)cc1C(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H12ClNOS/c1-7-3-4-9(15)6-10(7)12(16)11-5-8(2)13(14)17-11/h3-6H,15H2,1-2H3
InChIKeyXQPVJOTWGONDPL-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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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(5-amino-2-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79990962
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762871
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
CID 102762735
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102765197) is (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1ccc(N)cc1C(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is XQPVJOTWGONDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-7-3-4-9(15)6-10(7)12(16)11-5-8(2)13(14)17-11/h3-6H,15H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
(5-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 (5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102765197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).