N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide

C15H17N3OS — CID 5154361

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1nnc(C2CC2)s1)c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-10(11-5-3-2-4-6-11)9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H,16,18,19)
InChIKeyLJXZKMQMMDQVKK-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.55
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide (PubChem CID 5154361) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
PubChem CID5154361
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1nnc(C2CC2)s1)c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-10(11-5-3-2-4-6-11)9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H,16,18,19)
InChIKeyLJXZKMQMMDQVKK-UHFFFAOYSA-N
XLogP3.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 1122478
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
(3R)-3-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)propanamide
CID 95134091
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 30279767
N-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]phenyl]-3-methylbutanamide
CID 55973650
(3R)-3-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8003941
(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
2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 123387917
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[4-methyl-5-[(1R)-1-phenoxyethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7369221
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-propan-2-ylphenyl)butanediamide
CID 1409643

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide (CID 5154361) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide is CC(CC(=O)Nc1nnc(C2CC2)s1)c1ccccc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
The InChIKey is LJXZKMQMMDQVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10(11-5-3-2-4-6-11)9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H,16,18,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide has a molecular weight of 287.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide is sourced from PubChem (CID 5154361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).