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

C11H8N4OS2 — CID 79513540

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESNc1nnc(NC(=O)c2cc3ccccc3s2)s1
InChIInChI=1S/C11H8N4OS2/c12-10-14-15-11(18-10)13-9(16)8-5-6-3-1-2-4-7(6)17-8/h1-5H,(H2,12,14)(H,13,15,16)
InChIKeyDVCWCZZLVWLNRI-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.59
Rot. Bonds2

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 79513540) has the molecular formula C11H8N4OS2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID79513540
Molecular FormulaC11H8N4OS2
Molecular Weight276.35 g/mol
Exact Mass276.01
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESNc1nnc(NC(=O)c2cc3ccccc3s2)s1
InChIInChI=1S/C11H8N4OS2/c12-10-14-15-11(18-10)13-9(16)8-5-6-3-1-2-4-7(6)17-8/h1-5H,(H2,12,14)(H,13,15,16)
InChIKeyDVCWCZZLVWLNRI-UHFFFAOYSA-N
XLogP2.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 509754
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 509904
N-[5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 42578596
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 61406615
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(2-amino-6-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 62085161
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 75430284

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 79513540) is N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide is Nc1nnc(NC(=O)c2cc3ccccc3s2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is DVCWCZZLVWLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS2/c12-10-14-15-11(18-10)13-9(16)8-5-6-3-1-2-4-7(6)17-8/h1-5H,(H2,12,14)(H,13,15,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79513540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).