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

C5H6N4O2S2 — CID 40678691

IUPACN-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESNC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C5H6N4O2S2/c6-4(11)8-3(10)1-12-5-9-7-2-13-5/h2H,1H2,(H3,6,8,10,11)
InChIKeyPKBMOLJBUHILMK-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.17
Rot. Bonds3

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

N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 40678691) has the molecular formula C5H6N4O2S2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID40678691
Molecular FormulaC5H6N4O2S2
Molecular Weight218.26 g/mol
Exact Mass217.99
IUPAC NameN-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESNC(=O)NC(=O)CSc1nncs1
InChIInChI=1S/C5H6N4O2S2/c6-4(11)8-3(10)1-12-5-9-7-2-13-5/h2H,1H2,(H3,6,8,10,11)
InChIKeyPKBMOLJBUHILMK-UHFFFAOYSA-N
XLogP-0.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 40678691) is N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is NC(=O)NC(=O)CSc1nncs1.
What is the InChIKey of N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is PKBMOLJBUHILMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S2/c6-4(11)8-3(10)1-12-5-9-7-2-13-5/h2H,1H2,(H3,6,8,10,11).
What are the key properties of N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 218.26 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 40678691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).