(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide

C9H14N4O2S3 — CID 9375766

IUPAC(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
SMILESC[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)N(C)C
InChIInChI=1S/C9H14N4O2S3/c1-5(7(15)13(2)3)17-9-12-11-8(18-9)16-4-6(10)14/h5H,4H2,1-3H3,(H2,10,14)/t5-/m1/s1
InChIKeyONRIJNISKBQVIN-RXMQYKEDSA-N
MW306.44 g/mol
LogP0.68
Rot. Bonds6

About (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide

(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide (PubChem CID 9375766) has the molecular formula C9H14N4O2S3 and a molecular weight of 306.44 g/mol. Its IUPAC name is (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
PubChem CID9375766
Molecular FormulaC9H14N4O2S3
Molecular Weight306.44 g/mol
Exact Mass306.03
IUPAC Name(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
SMILESC[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)N(C)C
InChIInChI=1S/C9H14N4O2S3/c1-5(7(15)13(2)3)17-9-12-11-8(18-9)16-4-6(10)14/h5H,4H2,1-3H3,(H2,10,14)/t5-/m1/s1
InChIKeyONRIJNISKBQVIN-RXMQYKEDSA-N
XLogP0.68
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide with MolForge

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Related Compounds

2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
CID 24573840
(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 7883538
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 43015197
(2S)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 7883460
(2S)-N-(1-adamantyl)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7883553
(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 7883564
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 20896472
(2S)-N,N-dimethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378732
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 58800883
2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 17413151
2-[[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9375739
2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide (CID 9375766) is (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide is C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
The InChIKey is ONRIJNISKBQVIN-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14N4O2S3/c1-5(7(15)13(2)3)17-9-12-11-8(18-9)16-4-6(10)14/h5H,4H2,1-3H3,(H2,10,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
(2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide has a molecular weight of 306.44 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 9375766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).