(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone

C12H10ClNOS — CID 12750547

IUPAC(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2N)cs1
InChIInChI=1S/C12H10ClNOS/c1-7-4-8(6-16-7)12(15)10-3-2-9(13)5-11(10)14/h2-6H,14H2,1H3
InChIKeyNLSGEJONSGTJCO-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.52
Rot. Bonds2

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

(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 12750547) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
PubChem CID12750547
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2N)cs1
InChIInChI=1S/C12H10ClNOS/c1-7-4-8(6-16-7)12(15)10-3-2-9(13)5-11(10)14/h2-6H,14H2,1H3
InChIKeyNLSGEJONSGTJCO-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830780
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
ethyl 2-(2-amino-4-chlorobenzoyl)-1,3-thiazole-4-carboxylate
CID 168886969
(4-amino-3-bromophenyl)-(5-methylthiophen-3-yl)methanone
CID 116582141
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone (CID 12750547) is (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(Cl)cc2N)cs1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is NLSGEJONSGTJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-7-4-8(6-16-7)12(15)10-3-2-9(13)5-11(10)14/h2-6H,14H2,1H3.
What are the key properties of (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-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 (2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 12750547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).