2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide

C12H14N4OS — CID 695206

IUPAC2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-12(2,3)10(17)14-11-16-15-9(18-11)8-4-6-13-7-5-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyIUSJUXWQXBYOBH-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.58
Rot. Bonds2

About 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide

2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 695206) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID695206
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-12(2,3)10(17)14-11-16-15-9(18-11)8-4-6-13-7-5-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyIUSJUXWQXBYOBH-UHFFFAOYSA-N
XLogP2.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 82176853
2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 159721242
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 945350
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226596
2-(4-tert-butylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 5096630
1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 166962966
4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 155924872
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 695206) is 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C)C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is IUSJUXWQXBYOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-12(2,3)10(17)14-11-16-15-9(18-11)8-4-6-13-7-5-8/h4-7H,1-3H3,(H,14,16,17).
What are the key properties of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 262.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 695206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).