2-(aminomethyl)-1,3-thiazole-4-thiol

C4H6N2S2 — CID 163546642

IUPAC2-(aminomethyl)-1,3-thiazole-4-thiol
SMILESNCc1nc(S)cs1
InChIInChI=1S/C4H6N2S2/c5-1-4-6-3(7)2-8-4/h2,7H,1,5H2
InChIKeyFFOSEOAJAUDHJP-UHFFFAOYSA-N
MW146.24 g/mol
LogP0.89
Rot. Bonds1

About 2-(aminomethyl)-1,3-thiazole-4-thiol

2-(aminomethyl)-1,3-thiazole-4-thiol (PubChem CID 163546642) has the molecular formula C4H6N2S2 and a molecular weight of 146.24 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-thiazole-4-thiol.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-thiazole-4-thiol
PubChem CID163546642
Molecular FormulaC4H6N2S2
Molecular Weight146.24 g/mol
Exact Mass146.00
IUPAC Name2-(aminomethyl)-1,3-thiazole-4-thiol
SMILESNCc1nc(S)cs1
InChIInChI=1S/C4H6N2S2/c5-1-4-6-3(7)2-8-4/h2,7H,1,5H2
InChIKeyFFOSEOAJAUDHJP-UHFFFAOYSA-N
XLogP0.89
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 50.89
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-(aminomethyl)-1,3-thiazole-4-thiol?
The IUPAC name of 2-(aminomethyl)-1,3-thiazole-4-thiol (CID 163546642) is 2-(aminomethyl)-1,3-thiazole-4-thiol.
What is the SMILES notation for 2-(aminomethyl)-1,3-thiazole-4-thiol?
The canonical SMILES for 2-(aminomethyl)-1,3-thiazole-4-thiol is NCc1nc(S)cs1.
What is the InChIKey of 2-(aminomethyl)-1,3-thiazole-4-thiol?
The InChIKey is FFOSEOAJAUDHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2/c5-1-4-6-3(7)2-8-4/h2,7H,1,5H2.
What are the key properties of 2-(aminomethyl)-1,3-thiazole-4-thiol?
2-(aminomethyl)-1,3-thiazole-4-thiol has a molecular weight of 146.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,3-thiazole-4-thiol is sourced from PubChem (CID 163546642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).