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

C6H8N4O2S2 — CID 47135643

IUPACN-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESNC(=O)NC(=O)CCSc1nncs1
InChIInChI=1S/C6H8N4O2S2/c7-5(12)9-4(11)1-2-13-6-10-8-3-14-6/h3H,1-2H2,(H3,7,9,11,12)
InChIKeyZPCJRRDXJHXSLY-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.22
Rot. Bonds4

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

N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 47135643) has the molecular formula C6H8N4O2S2 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID47135643
Molecular FormulaC6H8N4O2S2
Molecular Weight232.29 g/mol
Exact Mass232.01
IUPAC NameN-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESNC(=O)NC(=O)CCSc1nncs1
InChIInChI=1S/C6H8N4O2S2/c7-5(12)9-4(11)1-2-13-6-10-8-3-14-6/h3H,1-2H2,(H3,7,9,11,12)
InChIKeyZPCJRRDXJHXSLY-UHFFFAOYSA-N
XLogP0.22
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 47135643) is N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is NC(=O)NC(=O)CCSc1nncs1.
What is the InChIKey of N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is ZPCJRRDXJHXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S2/c7-5(12)9-4(11)1-2-13-6-10-8-3-14-6/h3H,1-2H2,(H3,7,9,11,12).
What are the key properties of N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 232.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 47135643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).