6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C13H15N3OS2 — CID 3158985

IUPAC6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1
InChIInChI=1S/C13H15N3OS2/c1-7-3-4-9-10(6-18-11(9)5-7)12(17)14-13-16-15-8(2)19-13/h6-7H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyQBJHONOUTKNSLO-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.29
Rot. Bonds2

About 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3158985) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3158985
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1
InChIInChI=1S/C13H15N3OS2/c1-7-3-4-9-10(6-18-11(9)5-7)12(17)14-13-16-15-8(2)19-13/h6-7H,3-5H2,1-2H3,(H,14,16,17)
InChIKeyQBJHONOUTKNSLO-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3158985) is 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1.
What is the InChIKey of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is QBJHONOUTKNSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-7-3-4-9-10(6-18-11(9)5-7)12(17)14-13-16-15-8(2)19-13/h6-7H,3-5H2,1-2H3,(H,14,16,17).
What are the key properties of 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3158985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).