(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide

C15H19N3O3S — CID 7263150

IUPAC(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
SMILESCCOCc1nnc(NC(=O)[C@H](CC)Oc2ccccc2)s1
InChIInChI=1S/C15H19N3O3S/c1-3-12(21-11-8-6-5-7-9-11)14(19)16-15-18-17-13(22-15)10-20-4-2/h5-9,12H,3-4,10H2,1-2H3,(H,16,18,19)/t12-/m0/s1
InChIKeyNLTDNDLUSMNFPP-LBPRGKRZSA-N
MW321.40 g/mol
LogP2.87
Rot. Bonds8

About (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide

(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide (PubChem CID 7263150) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
PubChem CID7263150
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
SMILESCCOCc1nnc(NC(=O)[C@H](CC)Oc2ccccc2)s1
InChIInChI=1S/C15H19N3O3S/c1-3-12(21-11-8-6-5-7-9-11)14(19)16-15-18-17-13(22-15)10-20-4-2/h5-9,12H,3-4,10H2,1-2H3,(H,16,18,19)/t12-/m0/s1
InChIKeyNLTDNDLUSMNFPP-LBPRGKRZSA-N
XLogP2.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17321307
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 17321306
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202699
(2R)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202698
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
(2S)-2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100543248
2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid
CID 56920152
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-methylphenoxy)butanamide
CID 20778405

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide?
The IUPAC name of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide (CID 7263150) is (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide is CCOCc1nnc(NC(=O)[C@H](CC)Oc2ccccc2)s1.
What is the InChIKey of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide?
The InChIKey is NLTDNDLUSMNFPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-12(21-11-8-6-5-7-9-11)14(19)16-15-18-17-13(22-15)10-20-4-2/h5-9,12H,3-4,10H2,1-2H3,(H,16,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide?
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide has a molecular weight of 321.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide is sourced from PubChem (CID 7263150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).