1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

C14H14N2S2 — CID 55108307

IUPAC1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2csc3ccccc23)sc1C
InChIInChI=1S/C14H14N2S2/c1-8-9(2)18-14(16-8)13(15)11-7-17-12-6-4-3-5-10(11)12/h3-7,13H,15H2,1-2H3
InChIKeyHQGQZJOENOHKSA-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.02
Rot. Bonds2

About 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (PubChem CID 55108307) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
PubChem CID55108307
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2csc3ccccc23)sc1C
InChIInChI=1S/C14H14N2S2/c1-8-9(2)18-14(16-8)13(15)11-7-17-12-6-4-3-5-10(11)12/h3-7,13H,15H2,1-2H3
InChIKeyHQGQZJOENOHKSA-UHFFFAOYSA-N
XLogP4.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045167
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 115959866
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
CID 116936917
1-benzothiophen-3-yl(quinolin-3-yl)methanamine
CID 115797844
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
CID 105021781
1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733291
1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
CID 105038149

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (CID 55108307) is 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is Cc1nc(C(N)c2csc3ccccc23)sc1C.
What is the InChIKey of 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is HQGQZJOENOHKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-8-9(2)18-14(16-8)13(15)11-7-17-12-6-4-3-5-10(11)12/h3-7,13H,15H2,1-2H3.
What are the key properties of 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 55108307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).