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

C12H21N3OS — CID 1080641

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-6-8(7-2)9(16)13-11-15-14-10(17-11)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,15,16)
InChIKeyLBAKRNDSNARREI-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.21
Rot. Bonds4

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

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide (PubChem CID 1080641) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
PubChem CID1080641
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-6-8(7-2)9(16)13-11-15-14-10(17-11)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,15,16)
InChIKeyLBAKRNDSNARREI-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.21
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
2-ethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 5099630
(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
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453168
(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 133434609
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120613
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-methylphenoxy)butanamide
CID 20778405
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 166405074
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-(1,2,4-triazol-4-yl)butanamide
CID 138046702

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide (CID 1080641) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide is CCC(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-ethylbutanamide?
The InChIKey is LBAKRNDSNARREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-6-8(7-2)9(16)13-11-15-14-10(17-11)12(3,4)5/h8H,6-7H2,1-5H3,(H,13,15,16).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide has a molecular weight of 255.39 g/mol, XLogP of 3.21, 4 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-ethylbutanamide is sourced from PubChem (CID 1080641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).