2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide

C17H19N3OS — CID 119048449

IUPAC2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)C1CC1
InChIInChI=1S/C17H19N3OS/c1-11(12-7-8-12)14(21)18-16-20-19-15(22-16)17(9-10-17)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,20,21)
InChIKeyWBRYYCLJDMNSJQ-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.60
Rot. Bonds5

About 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide

2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 119048449) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID119048449
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)C1CC1
InChIInChI=1S/C17H19N3OS/c1-11(12-7-8-12)14(21)18-16-20-19-15(22-16)17(9-10-17)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,20,21)
InChIKeyWBRYYCLJDMNSJQ-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 154754382
1-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 100590163
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 119047604
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 27297044
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-(6-chloropyridazin-3-yl)-2-cyclopropylpropanamide
CID 115673029
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide
CID 128861159
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 119048449) is 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is WBRYYCLJDMNSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11(12-7-8-12)14(21)18-16-20-19-15(22-16)17(9-10-17)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,18,20,21).
What are the key properties of 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 313.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 119048449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).