2-amino-4,5-dihydro-1,3-thiazole-5-thiol

C3H6N2S2 — CID 87075271

IUPAC2-amino-4,5-dihydro-1,3-thiazole-5-thiol
SMILESNC1=NCC(S)S1
InChIInChI=1S/C3H6N2S2/c4-3-5-1-2(6)7-3/h2,6H,1H2,(H2,4,5)
InChIKeyDWYGOLNSTBNQCB-UHFFFAOYSA-N
MW134.23 g/mol
LogP0.30
Rot. Bonds

About 2-amino-4,5-dihydro-1,3-thiazole-5-thiol

2-amino-4,5-dihydro-1,3-thiazole-5-thiol (PubChem CID 87075271) has the molecular formula C3H6N2S2 and a molecular weight of 134.23 g/mol. Its IUPAC name is 2-amino-4,5-dihydro-1,3-thiazole-5-thiol.

Molecular Properties

Compound Name2-amino-4,5-dihydro-1,3-thiazole-5-thiol
PubChem CID87075271
Molecular FormulaC3H6N2S2
Molecular Weight134.23 g/mol
Exact Mass134.00
IUPAC Name2-amino-4,5-dihydro-1,3-thiazole-5-thiol
SMILESNC1=NCC(S)S1
InChIInChI=1S/C3H6N2S2/c4-3-5-1-2(6)7-3/h2,6H,1H2,(H2,4,5)
InChIKeyDWYGOLNSTBNQCB-UHFFFAOYSA-N
XLogP0.30
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dihydro-1,3-thiazole-5-thiol?
The IUPAC name of 2-amino-4,5-dihydro-1,3-thiazole-5-thiol (CID 87075271) is 2-amino-4,5-dihydro-1,3-thiazole-5-thiol.
What is the SMILES notation for 2-amino-4,5-dihydro-1,3-thiazole-5-thiol?
The canonical SMILES for 2-amino-4,5-dihydro-1,3-thiazole-5-thiol is NC1=NCC(S)S1.
What is the InChIKey of 2-amino-4,5-dihydro-1,3-thiazole-5-thiol?
The InChIKey is DWYGOLNSTBNQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2/c4-3-5-1-2(6)7-3/h2,6H,1H2,(H2,4,5).
What are the key properties of 2-amino-4,5-dihydro-1,3-thiazole-5-thiol?
2-amino-4,5-dihydro-1,3-thiazole-5-thiol has a molecular weight of 134.23 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dihydro-1,3-thiazole-5-thiol is sourced from PubChem (CID 87075271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).