2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide

C7H11N3OS — CID 3453475

IUPAC2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H11N3OS/c1-7(2,3)5(11)9-6-10-8-4-12-6/h4H,1-3H3,(H,9,10,11)
InChIKeyWCZMAJPTDZWGFP-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.52
Rot. Bonds1

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

2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 3453475) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID3453475
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nncs1
InChIInChI=1S/C7H11N3OS/c1-7(2,3)5(11)9-6-10-8-4-12-6/h4H,1-3H3,(H,9,10,11)
InChIKeyWCZMAJPTDZWGFP-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate
CID 20501574
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
1-tert-butyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 141451262
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
2,2,3-trimethyl-3-(1,3,4-thiadiazol-2-ylamino)butanoic acid
CID 65266431
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 106278171
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanoic acid
CID 115427794
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 51726125
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 3453475) is 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C)C(=O)Nc1nncs1.
What is the InChIKey of 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is WCZMAJPTDZWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-7(2,3)5(11)9-6-10-8-4-12-6/h4H,1-3H3,(H,9,10,11).
What are the key properties of 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 185.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 3453475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).