1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine

C14H12ClNS2 — CID 103400623

IUPAC1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1csc(C(N)c2csc3ccccc23)c1Cl
InChIInChI=1S/C14H12ClNS2/c1-8-6-18-14(12(8)15)13(16)10-7-17-11-5-3-2-4-9(10)11/h2-7,13H,16H2,1H3
InChIKeyWYEITRFHODZHOL-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.97
Rot. Bonds2

About 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine

1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine (PubChem CID 103400623) has the molecular formula C14H12ClNS2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
PubChem CID103400623
Molecular FormulaC14H12ClNS2
Molecular Weight293.84 g/mol
Exact Mass293.01
IUPAC Name1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1csc(C(N)c2csc3ccccc23)c1Cl
InChIInChI=1S/C14H12ClNS2/c1-8-6-18-14(12(8)15)13(16)10-7-17-11-5-3-2-4-9(10)11/h2-7,13H,16H2,1H3
InChIKeyWYEITRFHODZHOL-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
CID 81127792
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401154
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 103400599
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
3-[chloro-(3-chloro-2-methylphenyl)methyl]-1-benzothiophene
CID 107099073

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine (CID 103400623) is 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine is Cc1csc(C(N)c2csc3ccccc23)c1Cl.
What is the InChIKey of 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine?
The InChIKey is WYEITRFHODZHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNS2/c1-8-6-18-14(12(8)15)13(16)10-7-17-11-5-3-2-4-9(10)11/h2-7,13H,16H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine?
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine has a molecular weight of 293.84 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 103400623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).