5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine

C11H11ClN2S — CID 102765138

IUPAC5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
SMILESCc1cc(-c2cc(N)cc(N)c2)sc1Cl
InChIInChI=1S/C11H11ClN2S/c1-6-2-10(15-11(6)12)7-3-8(13)5-9(14)4-7/h2-5H,13-14H2,1H3
InChIKeyWIYWIXKWFOJDOF-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.54
Rot. Bonds1

About 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine

5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine (PubChem CID 102765138) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
PubChem CID102765138
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
SMILESCc1cc(-c2cc(N)cc(N)c2)sc1Cl
InChIInChI=1S/C11H11ClN2S/c1-6-2-10(15-11(6)12)7-3-8(13)5-9(14)4-7/h2-5H,13-14H2,1H3
InChIKeyWIYWIXKWFOJDOF-UHFFFAOYSA-N
XLogP3.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline
CID 102765141
4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765157
3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765150
2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline
CID 102765129
2-chloro-3,5-dimethylthiophene;ethane
CID 142092125
5-(5-chloro-4-methylthiophen-2-yl)-1,2,4-triazole-3-thione
CID 18708781
8-(5-chloro-4-methylthiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 102765132
2-(5-chloro-4-methylthiophen-2-yl)acetonitrile
CID 22095125
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 107334288
3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline
CID 107579824
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine (CID 102765138) is 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine is Cc1cc(-c2cc(N)cc(N)c2)sc1Cl.
What is the InChIKey of 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine?
The InChIKey is WIYWIXKWFOJDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-6-2-10(15-11(6)12)7-3-8(13)5-9(14)4-7/h2-5H,13-14H2,1H3.
What are the key properties of 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine?
5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine has a molecular weight of 238.74 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 102765138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).