2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide

C7H12N4OS — CID 106278171

IUPAC2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
SMILESCC(C)(CNc1nncs1)C(N)=O
InChIInChI=1S/C7H12N4OS/c1-7(2,5(8)12)3-9-6-11-10-4-13-6/h4H,3H2,1-2H3,(H2,8,12)(H,9,11)
InChIKeyRMOZDSZCBNIBCR-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.46
Rot. Bonds4

About 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide

2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide (PubChem CID 106278171) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
PubChem CID106278171
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
SMILESCC(C)(CNc1nncs1)C(N)=O
InChIInChI=1S/C7H12N4OS/c1-7(2,5(8)12)3-9-6-11-10-4-13-6/h4H,3H2,1-2H3,(H2,8,12)(H,9,11)
InChIKeyRMOZDSZCBNIBCR-UHFFFAOYSA-N
XLogP0.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanoic acid
CID 115427794
3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide
CID 106277959
3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol
CID 106144358
2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 3453475
2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate
CID 20501574
ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate
CID 106279442
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
N,2-dimethyl-2-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 131093296
2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid
CID 65266431
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106543880
3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide (CID 106278171) is 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide is CC(C)(CNc1nncs1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide?
The InChIKey is RMOZDSZCBNIBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-7(2,5(8)12)3-9-6-11-10-4-13-6/h4H,3H2,1-2H3,(H2,8,12)(H,9,11).
What are the key properties of 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide?
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide has a molecular weight of 200.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide is sourced from PubChem (CID 106278171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).