1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C15H16N2S2 — CID 105019355

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1csc2ccccc12
InChIInChI=1S/C15H16N2S2/c1-10-8-19-15(17-10)7-13(16-2)12-9-18-14-6-4-3-5-11(12)14/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyZVYZSKFRTGURMW-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.17
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105019355) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105019355
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1csc2ccccc12
InChIInChI=1S/C15H16N2S2/c1-10-8-19-15(17-10)7-13(16-2)12-9-18-14-6-4-3-5-11(12)14/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyZVYZSKFRTGURMW-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
1-(1-benzothiophen-3-yl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447856
1-(1-benzothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447520
1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 105019355) is 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZVYZSKFRTGURMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-10-8-19-15(17-10)7-13(16-2)12-9-18-14-6-4-3-5-11(12)14/h3-6,8-9,13,16H,7H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 288.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105019355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).