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

C8H13N3OS2 — CID 51184249

IUPACN-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(C)NC(=O)C(C)Sc1nncs1
InChIInChI=1S/C8H13N3OS2/c1-5(2)10-7(12)6(3)14-8-11-9-4-13-8/h4-6H,1-3H3,(H,10,12)
InChIKeyLHTQDDFCZCHJSQ-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.54
Rot. Bonds4

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

N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 51184249) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID51184249
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC NameN-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(C)NC(=O)C(C)Sc1nncs1
InChIInChI=1S/C8H13N3OS2/c1-5(2)10-7(12)6(3)14-8-11-9-4-13-8/h4-6H,1-3H3,(H,10,12)
InChIKeyLHTQDDFCZCHJSQ-UHFFFAOYSA-N
XLogP1.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477
N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46803104
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 29440220
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879
(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 95287144
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 33227309
N-(oxolan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 18078012
(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935846

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 51184249) is N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CC(C)NC(=O)C(C)Sc1nncs1.
What is the InChIKey of N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is LHTQDDFCZCHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-5(2)10-7(12)6(3)14-8-11-9-4-13-8/h4-6H,1-3H3,(H,10,12).
What are the key properties of N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 231.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 51184249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).