(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone

C12H11ClN2OS — CID 102765208

IUPAC(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cc2N)sc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-6-4-10(17-12(6)13)11(16)8-3-2-7(14)5-9(8)15/h2-5H,14-15H2,1H3
InChIKeyYNJAHZRLLDVYBI-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.11
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone

(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone (PubChem CID 102765208) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
PubChem CID102765208
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cc2N)sc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-6-4-10(17-12(6)13)11(16)8-3-2-7(14)5-9(8)15/h2-5H,14-15H2,1H3
InChIKeyYNJAHZRLLDVYBI-UHFFFAOYSA-N
XLogP3.11
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
(5-bromo-4-chlorothiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 80532463
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762871
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071
(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102762955

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone (CID 102765208) is (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone is Cc1cc(C(=O)c2ccc(N)cc2N)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone?
The InChIKey is YNJAHZRLLDVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-6-4-10(17-12(6)13)11(16)8-3-2-7(14)5-9(8)15/h2-5H,14-15H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone?
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone has a molecular weight of 266.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone is sourced from PubChem (CID 102765208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).