(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine

C11H12ClNS2 — CID 62276867

IUPAC(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C11H12ClNS2/c1-6-5-8(7(2)14-6)11(13)9-3-4-10(12)15-9/h3-5,11H,13H2,1-2H3
InChIKeyQKGSJXCEYOVLJX-UHFFFAOYSA-N
MW257.81 g/mol
LogP4.13
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine

(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine (PubChem CID 62276867) has the molecular formula C11H12ClNS2 and a molecular weight of 257.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
PubChem CID62276867
Molecular FormulaC11H12ClNS2
Molecular Weight257.81 g/mol
Exact Mass257.01
IUPAC Name(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C11H12ClNS2/c1-6-5-8(7(2)14-6)11(13)9-3-4-10(12)15-9/h3-5,11H,13H2,1-2H3
InChIKeyQKGSJXCEYOVLJX-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

(2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanamine
CID 43464516
(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105173448
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040
(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
(2-chlorothiophen-3-yl)-(5-chlorothiophen-2-yl)methanamine
CID 130700462
(2,5-dimethylthiophen-3-yl)-(4-iodophenyl)methanamine
CID 43124905
(2,5-dimethylthiophen-3-yl)-thiophen-3-ylmethanamine
CID 43464505
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 43119710
(5-chlorothiophen-2-yl)-(2,3-dimethoxyphenyl)methanamine
CID 105173410
(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198024
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine
CID 54977036
(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
CID 130521639

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine (CID 62276867) is (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine is Cc1cc(C(N)c2ccc(Cl)s2)c(C)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
The InChIKey is QKGSJXCEYOVLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS2/c1-6-5-8(7(2)14-6)11(13)9-3-4-10(12)15-9/h3-5,11H,13H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine?
(5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-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 (5-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine is sourced from PubChem (CID 62276867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).