2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide

C19H27N3O2S — CID 17320485

IUPAC2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(CCc2ccc(OC)cc2)s1
InChIInChI=1S/C19H27N3O2S/c1-4-6-7-15(5-2)18(23)20-19-22-21-17(25-19)13-10-14-8-11-16(24-3)12-9-14/h8-9,11-12,15H,4-7,10,13H2,1-3H3,(H,20,22,23)
InChIKeyAUZZDCGQSHPBRK-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.49
Rot. Bonds10

About 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide

2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide (PubChem CID 17320485) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide
PubChem CID17320485
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(CCc2ccc(OC)cc2)s1
InChIInChI=1S/C19H27N3O2S/c1-4-6-7-15(5-2)18(23)20-19-22-21-17(25-19)13-10-14-8-11-16(24-3)12-9-14/h8-9,11-12,15H,4-7,10,13H2,1-3H3,(H,20,22,23)
InChIKeyAUZZDCGQSHPBRK-UHFFFAOYSA-N
XLogP4.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 17321306
(2S)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide
CID 7322467
2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46508754
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3151641
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide
CID 17320498
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 1086962
2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 5099630
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide?
The IUPAC name of 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide (CID 17320485) is 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide?
The canonical SMILES for 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide is CCCCC(CC)C(=O)Nc1nnc(CCc2ccc(OC)cc2)s1.
What is the InChIKey of 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide?
The InChIKey is AUZZDCGQSHPBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-6-7-15(5-2)18(23)20-19-22-21-17(25-19)13-10-14-8-11-16(24-3)12-9-14/h8-9,11-12,15H,4-7,10,13H2,1-3H3,(H,20,22,23).
What are the key properties of 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide?
2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide has a molecular weight of 361.51 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide is sourced from PubChem (CID 17320485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).