(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine

C11H12ClNS2 — CID 103400599

IUPAC(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2scc(C)c2Cl)s1
InChIInChI=1S/C11H12ClNS2/c1-6-5-14-11(9(6)12)10(13)8-4-3-7(2)15-8/h3-5,10H,13H2,1-2H3
InChIKeyBIIWYBRXXSEZTL-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.13
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine

(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 103400599) has the molecular formula C11H12ClNS2 and a molecular weight of 257.81 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
PubChem CID103400599
Molecular FormulaC11H12ClNS2
Molecular Weight257.81 g/mol
Exact Mass257.01
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2scc(C)c2Cl)s1
InChIInChI=1S/C11H12ClNS2/c1-6-5-14-11(9(6)12)10(13)8-4-3-7(2)15-8/h3-5,10H,13H2,1-2H3
InChIKeyBIIWYBRXXSEZTL-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198024
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
CID 79802346
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401154
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 103401213
(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 103405830
1-(3-chloro-4-methylthiophen-2-yl)-2-methylbutan-1-amine
CID 103406871
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 103407460
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine (CID 103400599) is (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2scc(C)c2Cl)s1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is BIIWYBRXXSEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS2/c1-6-5-14-11(9(6)12)10(13)8-4-3-7(2)15-8/h3-5,10H,13H2,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine?
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 257.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 103400599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).