5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine

C11H11N3S — CID 156770998

IUPAC5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C11H11N3S/c1-2-4-9(5-3-1)12-11-14-13-10(15-11)8-6-7-8/h1-5,8H,6-7H2,(H,12,14)
InChIKeyQUDFIBCYCTUAGR-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.16
Rot. Bonds3

About 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 156770998) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID156770998
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C11H11N3S/c1-2-4-9(5-3-1)12-11-14-13-10(15-11)8-6-7-8/h1-5,8H,6-7H2,(H,12,14)
InChIKeyQUDFIBCYCTUAGR-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclopentan-1-ol
CID 102060593
trans-(1R,2R)-2-(5-anilino-1,3,4-thiadiazol-2-yl)cyclohexan-1-ol
CID 14687043
N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 131017877
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 58313047
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 6163871
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine;ethane
CID 143124227
N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133366013
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol
CID 133477231
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 90186082

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine (CID 156770998) is 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine is c1ccc(Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QUDFIBCYCTUAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-4-9(5-3-1)12-11-14-13-10(15-11)8-6-7-8/h1-5,8H,6-7H2,(H,12,14).
What are the key properties of 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 217.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 156770998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).