3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C14H16N2O2S2 — CID 91956409

IUPAC3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NCc2nccs2)sc2c1CCCC2
InChIInChI=1S/C14H16N2O2S2/c1-18-12-9-4-2-3-5-10(9)20-13(12)14(17)16-8-11-15-6-7-19-11/h6-7H,2-5,8H2,1H3,(H,16,17)
InChIKeyYJGJIHLAKDHGHJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.02
Rot. Bonds4

About 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 91956409) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID91956409
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NCc2nccs2)sc2c1CCCC2
InChIInChI=1S/C14H16N2O2S2/c1-18-12-9-4-2-3-5-10(9)20-13(12)14(17)16-8-11-15-6-7-19-11/h6-7H,2-5,8H2,1H3,(H,16,17)
InChIKeyYJGJIHLAKDHGHJ-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956498
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438
N-[3-(dimethylamino)propyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956538
N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 100815248
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110738852
3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956435
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 91956409) is 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1c(C(=O)NCc2nccs2)sc2c1CCCC2.
What is the InChIKey of 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is YJGJIHLAKDHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-18-12-9-4-2-3-5-10(9)20-13(12)14(17)16-8-11-15-6-7-19-11/h6-7H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91956409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).