(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone

C12H10ClNOS — CID 80531509

IUPAC(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2sccc2Cl)ccc1N
InChIInChI=1S/C12H10ClNOS/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6H,14H2,1H3
InChIKeyUXQXEOXSXVWOOF-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.52
Rot. Bonds2

About (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone

(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80531509) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80531509
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2sccc2Cl)ccc1N
InChIInChI=1S/C12H10ClNOS/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6H,14H2,1H3
InChIKeyUXQXEOXSXVWOOF-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.52
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

(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
CID 80529759

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone (CID 80531509) is (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone is Cc1cc(C(=O)c2sccc2Cl)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is UXQXEOXSXVWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6H,14H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone?
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 251.74 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80531509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).