N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide

C10H9N3OS2 — CID 1451531

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)C1CC1
InChIInChI=1S/C10H9N3OS2/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14)
InChIKeyWGJPXBDYAZCPOV-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.62
Rot. Bonds3

About N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (PubChem CID 1451531) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
PubChem CID1451531
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)C1CC1
InChIInChI=1S/C10H9N3OS2/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14)
InChIKeyWGJPXBDYAZCPOV-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-N'-thiophen-2-ylmethyl-succinamide
CID 1627306
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
3,3-Dimethyl-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 648154
2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 649189
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 695198
N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 745404
N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809018
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 847037

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (CID 1451531) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nnc(-c2cccs2)s1)C1CC1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is WGJPXBDYAZCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 251.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 1451531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).