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

C12H10ClNOS — CID 102830780

IUPAC(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H10ClNOS/c1-7-9(4-5-16-7)12(15)10-3-2-8(13)6-11(10)14/h2-6H,14H2,1H3
InChIKeyUBDCNFLJLKBDTN-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.52
Rot. Bonds2

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

(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102830780) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102830780
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H10ClNOS/c1-7-9(4-5-16-7)12(15)10-3-2-8(13)6-11(10)14/h2-6H,14H2,1H3
InChIKeyUBDCNFLJLKBDTN-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

bis(2-amino-4-chlorophenyl)methanone
CID 15130044
bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 12750547
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839725
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
(2-amino-5-methoxyphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839622
ethyl 2-(2-amino-4-chlorobenzoyl)-1,3-thiazole-4-carboxylate
CID 168886969
azanium 2-amino-4-chlorobenzoate
CID 23030471
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840121

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone (CID 102830780) is (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is UBDCNFLJLKBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-7-9(4-5-16-7)12(15)10-3-2-8(13)6-11(10)14/h2-6H,14H2,1H3.
What are the key properties of (2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone?
(2-amino-4-chlorophenyl)-(2-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)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102830780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).