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

C9H15N3OS — CID 692810

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-5-6-11-12-8(14-6)10-7(13)9(2,3)4/h5H2,1-4H3,(H,10,12,13)
InChIKeyWAMGKKRKPUPJEW-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.09
Rot. Bonds2

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 692810) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
PubChem CID692810
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-5-6-11-12-8(14-6)10-7(13)9(2,3)4/h5H2,1-4H3,(H,10,12,13)
InChIKeyWAMGKKRKPUPJEW-UHFFFAOYSA-N
XLogP2.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733154
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 82546736
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
2,2-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 5151390
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110439612
3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 82109868
2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 784732
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)-3-(methylamino)propanamide
CID 107641879
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide (CID 692810) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide is CCc1nnc(NC(=O)C(C)(C)C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is WAMGKKRKPUPJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5-6-11-12-8(14-6)10-7(13)9(2,3)4/h5H2,1-4H3,(H,10,12,13).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 213.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 692810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).