6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C13H16N2OS2 — CID 118158588

IUPAC6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCOC1CCc2c(sc(N)c2-c2nc(C)cs2)C1
InChIInChI=1S/C13H16N2OS2/c1-7-6-17-13(15-7)11-9-4-3-8(16-2)5-10(9)18-12(11)14/h6,8H,3-5,14H2,1-2H3
InChIKeyLKXQGCFEMYINAQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.27
Rot. Bonds2

About 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 118158588) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID118158588
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCOC1CCc2c(sc(N)c2-c2nc(C)cs2)C1
InChIInChI=1S/C13H16N2OS2/c1-7-6-17-13(15-7)11-9-4-3-8(16-2)5-10(9)18-12(11)14/h6,8H,3-5,14H2,1-2H3
InChIKeyLKXQGCFEMYINAQ-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine with MolForge

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Related Compounds

[3-[[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-2-bicyclo[2.2.2]oct-2-enyl] hydrogen carbonate
CID 121281221
3-[[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-2-ene-2-carboxylic acid
CID 118158787
3-(4-methoxy-2-methylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366349
N-[3-(4-methyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexene-1-carboxamide
CID 121281577
trans-(1S,2S)-2-[2-[6,6-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-1-benzothiophen-2-yl]acetyl]cyclohexane-1-carboxylic acid
CID 161416484
2-[[3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 118158772
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
2-[2-[3-(4-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetyl]cyclopentene-1-carboxylic acid
CID 159742575
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961
3-(5-bromo-1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine;ethane
CID 145202228
5-(4-methoxypiperidin-1-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 43450625
trans-(1R,2R)-2-[[6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 118158600

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 118158588) is 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is COC1CCc2c(sc(N)c2-c2nc(C)cs2)C1.
What is the InChIKey of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is LKXQGCFEMYINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-7-6-17-13(15-7)11-9-4-3-8(16-2)5-10(9)18-12(11)14/h6,8H,3-5,14H2,1-2H3.
What are the key properties of 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 280.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 118158588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).