(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

C18H17N3O2S — CID 27991426

IUPAC(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-2-15(23-14-11-7-4-8-12-14)16(22)19-18-21-20-17(24-18)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3,(H,19,21,22)/t15-/m0/s1
InChIKeyAVSAIQWJERPGTM-HNNXBMFYSA-N
MW339.42 g/mol
LogP4.00
Rot. Bonds6

About (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 27991426) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID27991426
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-2-15(23-14-11-7-4-8-12-14)16(22)19-18-21-20-17(24-18)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3,(H,19,21,22)/t15-/m0/s1
InChIKeyAVSAIQWJERPGTM-HNNXBMFYSA-N
XLogP4.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100536622
(2S)-2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100543248
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)butanamide
CID 133210668
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
2-(2,4-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133251965
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 7263150
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)butanamide
CID 133235523
(2S)-2-(4-tert-butylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100721792
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17321307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (CID 27991426) is (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is AVSAIQWJERPGTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-15(23-14-11-7-4-8-12-14)16(22)19-18-21-20-17(24-18)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3,(H,19,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 339.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 27991426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).