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

C15H18N2OS2 — CID 86836016

IUPAC6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1ncc(CNC(=O)c2csc3c2CCC(C)C3)s1
InChIInChI=1S/C15H18N2OS2/c1-9-3-4-12-13(8-19-14(12)5-9)15(18)17-7-11-6-16-10(2)20-11/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySNCAUNGFZALNPZ-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.57
Rot. Bonds3

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

6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 86836016) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID86836016
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1ncc(CNC(=O)c2csc3c2CCC(C)C3)s1
InChIInChI=1S/C15H18N2OS2/c1-9-3-4-12-13(8-19-14(12)5-9)15(18)17-7-11-6-16-10(2)20-11/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySNCAUNGFZALNPZ-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
(6R)-6-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 95129993
N-(2-chloroprop-2-enyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 113238614
N-(3-hydroxy-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 65037426
2-methyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 62676927
4-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]butanoic acid
CID 43239230
N-(4-hydroxy-2-methylpentyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 111447060
N-[(3-hydroxycyclopentyl)methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 103280717
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55332814
N-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 79194597
6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 78789366
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 86836016) is 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1ncc(CNC(=O)c2csc3c2CCC(C)C3)s1.
What is the InChIKey of 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is SNCAUNGFZALNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-9-3-4-12-13(8-19-14(12)5-9)15(18)17-7-11-6-16-10(2)20-11/h6,8-9H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 306.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 86836016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).