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

C12H9N3OS2 — CID 17374715

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2csc3ccccc23)s1
InChIInChI=1S/C12H9N3OS2/c1-7-14-15-12(18-7)13-11(16)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,13,15,16)
InChIKeyAURWCUGPSTYJEW-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.31
Rot. Bonds2

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide (PubChem CID 17374715) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
PubChem CID17374715
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2csc3ccccc23)s1
InChIInChI=1S/C12H9N3OS2/c1-7-14-15-12(18-7)13-11(16)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,13,15,16)
InChIKeyAURWCUGPSTYJEW-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
CID 106772932
N-(3-methyl-2-pyridinyl)-1-benzothiophene-3-carboxamide
CID 25343168
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-benzothiophene-3-carboxamide
CID 77046971
N-(2-acetylphenyl)-1-benzothiophene-3-carboxamide
CID 60704804
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 115635314
N-(2-ethyl-6-methylphenyl)-1-benzothiophene-3-carboxamide
CID 1247322
N-(4-aminophenyl)-1-benzothiophene-3-carboxamide
CID 55012552
N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
CID 103745253
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
3-(1-benzothiophene-3-carbonylamino)pyrazine-2-carboxylic acid
CID 63261799
N-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-3-carboxamide
CID 82726518

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide (CID 17374715) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide is Cc1nnc(NC(=O)c2csc3ccccc23)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is AURWCUGPSTYJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c1-7-14-15-12(18-7)13-11(16)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H,13,15,16).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 17374715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).