(2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide

C8H12N4O2S2 — CID 7499641

IUPAC(2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide
SMILESCC(C)[C@@H](Sc1nncs1)C(=O)NC(N)=O
InChIInChI=1S/C8H12N4O2S2/c1-4(2)5(6(13)11-7(9)14)16-8-12-10-3-15-8/h3-5H,1-2H3,(H3,9,11,13,14)/t5-/m1/s1
InChIKeyADFBSPMMVMURKV-RXMQYKEDSA-N
MW260.34 g/mol
LogP0.85
Rot. Bonds4

About (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide

(2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide (PubChem CID 7499641) has the molecular formula C8H12N4O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide
PubChem CID7499641
Molecular FormulaC8H12N4O2S2
Molecular Weight260.34 g/mol
Exact Mass260.04
IUPAC Name(2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide
SMILESCC(C)[C@@H](Sc1nncs1)C(=O)NC(N)=O
InChIInChI=1S/C8H12N4O2S2/c1-4(2)5(6(13)11-7(9)14)16-8-12-10-3-15-8/h3-5H,1-2H3,(H3,9,11,13,14)/t5-/m1/s1
InChIKeyADFBSPMMVMURKV-RXMQYKEDSA-N
XLogP0.85
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide?
The IUPAC name of (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide (CID 7499641) is (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide.
What is the SMILES notation for (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide?
The canonical SMILES for (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide is CC(C)[C@@H](Sc1nncs1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide?
The InChIKey is ADFBSPMMVMURKV-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N4O2S2/c1-4(2)5(6(13)11-7(9)14)16-8-12-10-3-15-8/h3-5H,1-2H3,(H3,9,11,13,14)/t5-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide?
(2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide has a molecular weight of 260.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-3-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)butanamide is sourced from PubChem (CID 7499641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).