2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide

C10H18N4OS — CID 103827482

IUPAC2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
SMILESCCc1nnc(NC(=O)C(N)C(C)(C)C)s1
InChIInChI=1S/C10H18N4OS/c1-5-6-13-14-9(16-6)12-8(15)7(11)10(2,3)4/h7H,5,11H2,1-4H3,(H,12,14,15)
InChIKeyDSPRPZWLIXXXGA-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide

2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 103827482) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
PubChem CID103827482
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
SMILESCCc1nnc(NC(=O)C(N)C(C)(C)C)s1
InChIInChI=1S/C10H18N4OS/c1-5-6-13-14-9(16-6)12-8(15)7(11)10(2,3)4/h7H,5,11H2,1-4H3,(H,12,14,15)
InChIKeyDSPRPZWLIXXXGA-UHFFFAOYSA-N
XLogP1.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 119777368
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 19256783
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733154
(2S)-2-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
CID 119745126
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119338754
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120456
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide
CID 172909172
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 82546736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide (CID 103827482) is 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide is CCc1nnc(NC(=O)C(N)C(C)(C)C)s1.
What is the InChIKey of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is DSPRPZWLIXXXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-5-6-13-14-9(16-6)12-8(15)7(11)10(2,3)4/h7H,5,11H2,1-4H3,(H,12,14,15).
What are the key properties of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide?
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 242.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103827482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).