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

C15H27N3OS — CID 5099630

IUPAC2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(C(C)(C)CC)s1
InChIInChI=1S/C15H27N3OS/c1-6-9-10-11(7-2)12(19)16-14-18-17-13(20-14)15(4,5)8-3/h11H,6-10H2,1-5H3,(H,16,18,19)
InChIKeyMYAGODNHXGEZLZ-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.38
Rot. Bonds8

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

2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide (PubChem CID 5099630) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
PubChem CID5099630
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(C(C)(C)CC)s1
InChIInChI=1S/C15H27N3OS/c1-6-9-10-11(7-2)12(19)16-14-18-17-13(20-14)15(4,5)8-3/h11H,6-10H2,1-5H3,(H,16,18,19)
InChIKeyMYAGODNHXGEZLZ-UHFFFAOYSA-N
XLogP4.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(pentan-3-ylamino)pentanamide
CID 85432458
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide
CID 17320498
2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide
CID 17320485
(2S)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide
CID 7322467
2-ethyl-N-[1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]hexanamide
CID 4607088
(2S)-2-(butan-2-ylamino)-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 11609812
(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
CID 7260906
2-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide
CID 3151966
2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide
CID 3429182

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide?
The IUPAC name of 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide (CID 5099630) is 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide?
The canonical SMILES for 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide is CCCCC(CC)C(=O)Nc1nnc(C(C)(C)CC)s1.
What is the InChIKey of 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide?
The InChIKey is MYAGODNHXGEZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-6-9-10-11(7-2)12(19)16-14-18-17-13(20-14)15(4,5)8-3/h11H,6-10H2,1-5H3,(H,16,18,19).
What are the key properties of 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide?
2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide has a molecular weight of 297.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide is sourced from PubChem (CID 5099630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).