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

C11H13NS2 — CID 79802346

IUPAC(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2cscc2C)s1
InChIInChI=1S/C11H13NS2/c1-7-5-13-6-9(7)11(12)10-4-3-8(2)14-10/h3-6,11H,12H2,1-2H3
InChIKeyJPKCECFMSGCJGK-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.47
Rot. Bonds2

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

(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 79802346) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
PubChem CID79802346
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2cscc2C)s1
InChIInChI=1S/C11H13NS2/c1-7-5-13-6-9(7)11(12)10-4-3-8(2)14-10/h3-6,11H,12H2,1-2H3
InChIKeyJPKCECFMSGCJGK-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198024
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 103400599
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611
2-chloro-5-[chloro-(4-methylthiophen-3-yl)methyl]thiophene
CID 79808536
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802254
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(5-bromofuran-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 43464264
3-methyl-1-(5-methylthiophen-2-yl)but-2-en-1-amine
CID 105004943

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine (CID 79802346) is (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2cscc2C)s1.
What is the InChIKey of (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is JPKCECFMSGCJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-7-5-13-6-9(7)11(12)10-4-3-8(2)14-10/h3-6,11H,12H2,1-2H3.
What are the key properties of (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine?
(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 223.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 79802346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).