S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate

C7H9N3OS2 — CID 163977382

IUPACS-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate
SMILESC=C(CSC(=O)NN)c1nccs1
InChIInChI=1S/C7H9N3OS2/c1-5(4-13-7(11)10-8)6-9-2-3-12-6/h2-3H,1,4,8H2,(H,10,11)
InChIKeySVIYBPNHRSNAKW-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.47
Rot. Bonds3

About S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate

S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate (PubChem CID 163977382) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate.

Molecular Properties

Compound NameS-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate
PubChem CID163977382
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC NameS-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate
SMILESC=C(CSC(=O)NN)c1nccs1
InChIInChI=1S/C7H9N3OS2/c1-5(4-13-7(11)10-8)6-9-2-3-12-6/h2-3H,1,4,8H2,(H,10,11)
InChIKeySVIYBPNHRSNAKW-UHFFFAOYSA-N
XLogP1.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate?
The IUPAC name of S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate (CID 163977382) is S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate.
What is the SMILES notation for S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate?
The canonical SMILES for S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate is C=C(CSC(=O)NN)c1nccs1.
What is the InChIKey of S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate?
The InChIKey is SVIYBPNHRSNAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-5(4-13-7(11)10-8)6-9-2-3-12-6/h2-3H,1,4,8H2,(H,10,11).
What are the key properties of S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate?
S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate has a molecular weight of 215.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate is sourced from PubChem (CID 163977382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).