N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide

C16H11N3OS3 — CID 24647533

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C16H11N3OS3/c20-14(17-16-19-18-15(23-16)8-5-6-8)12-7-11-13(22-12)9-3-1-2-4-10(9)21-11/h1-4,7-8H,5-6H2,(H,17,19,20)
InChIKeyLPFYATAFKVXRNU-UHFFFAOYSA-N
MW357.49 g/mol
LogP5.10
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide (PubChem CID 24647533) has the molecular formula C16H11N3OS3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
PubChem CID24647533
Molecular FormulaC16H11N3OS3
Molecular Weight357.49 g/mol
Exact Mass357.01
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C16H11N3OS3/c20-14(17-16-19-18-15(23-16)8-5-6-8)12-7-11-13(22-12)9-3-1-2-4-10(9)21-11/h1-4,7-8H,5-6H2,(H,17,19,20)
InChIKeyLPFYATAFKVXRNU-UHFFFAOYSA-N
XLogP5.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24647540
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2669775
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17218011
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 120642347
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45491341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18134966
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 33316475
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 17402298
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide (CID 24647533) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1cc2sc3ccccc3c2s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide?
The InChIKey is LPFYATAFKVXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS3/c20-14(17-16-19-18-15(23-16)8-5-6-8)12-7-11-13(22-12)9-3-1-2-4-10(9)21-11/h1-4,7-8H,5-6H2,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide has a molecular weight of 357.49 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide is sourced from PubChem (CID 24647533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).