N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide

C14H25N3OS — CID 2914170

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-6-8-9-10(7-2)11(18)15-13-17-16-12(19-13)14(3,4)5/h10H,6-9H2,1-5H3,(H,15,17,18)
InChIKeyWQILCYDRJYFHAV-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.99
Rot. Bonds6

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide (PubChem CID 2914170) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
PubChem CID2914170
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C14H25N3OS/c1-6-8-9-10(7-2)11(18)15-13-17-16-12(19-13)14(3,4)5/h10H,6-9H2,1-5H3,(H,15,17,18)
InChIKeyWQILCYDRJYFHAV-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.99
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-ethylbutanamide
CID 1080641
2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 5099630
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453168
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide
CID 17320498
2-ethyl-N-[1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]hexanamide
CID 4607088
(2S)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide
CID 7322467
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide
CID 17320485
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 N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide (CID 2914170) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide?
The InChIKey is WQILCYDRJYFHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-8-9-10(7-2)11(18)15-13-17-16-12(19-13)14(3,4)5/h10H,6-9H2,1-5H3,(H,15,17,18).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide has a molecular weight of 283.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide is sourced from PubChem (CID 2914170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).