(3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid

C5H7N3O2S — CID 69068099

IUPAC(3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid
SMILESCCc1nsc(NC(=O)O)n1
InChIInChI=1S/C5H7N3O2S/c1-2-3-6-4(11-8-3)7-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKeyGVJXZWBZNAKNRM-UHFFFAOYSA-N
MW173.20 g/mol
LogP1.19
Rot. Bonds2

About (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid

(3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid (PubChem CID 69068099) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid
PubChem CID69068099
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name(3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid
SMILESCCc1nsc(NC(=O)O)n1
InChIInChI=1S/C5H7N3O2S/c1-2-3-6-4(11-8-3)7-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
InChIKeyGVJXZWBZNAKNRM-UHFFFAOYSA-N
XLogP1.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid?
The IUPAC name of (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid (CID 69068099) is (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid.
What is the SMILES notation for (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid?
The canonical SMILES for (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid is CCc1nsc(NC(=O)O)n1.
What is the InChIKey of (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid?
The InChIKey is GVJXZWBZNAKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-2-3-6-4(11-8-3)7-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8).
What are the key properties of (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid?
(3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid has a molecular weight of 173.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2,4-thiadiazol-5-yl)carbamic acid is sourced from PubChem (CID 69068099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).