(4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine

C4H6N2OS2 — CID 130358226

IUPAC(4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(SO)cs1
InChIInChI=1S/C4H6N2OS2/c5-1-3-6-4(9-7)2-8-3/h2,7H,1,5H2
InChIKeyPISYCEMJQFZHGE-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.17
Rot. Bonds2

About (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine

(4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine (PubChem CID 130358226) has the molecular formula C4H6N2OS2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine
PubChem CID130358226
Molecular FormulaC4H6N2OS2
Molecular Weight162.24 g/mol
Exact Mass161.99
IUPAC Name(4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(SO)cs1
InChIInChI=1S/C4H6N2OS2/c5-1-3-6-4(9-7)2-8-3/h2,7H,1,5H2
InChIKeyPISYCEMJQFZHGE-UHFFFAOYSA-N
XLogP1.17
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine (CID 130358226) is (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine is NCc1nc(SO)cs1.
What is the InChIKey of (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is PISYCEMJQFZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS2/c5-1-3-6-4(9-7)2-8-3/h2,7H,1,5H2.
What are the key properties of (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine?
(4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 162.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxysulfanyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 130358226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).