3-methyl-5-(sulfinatoamino)-1,2-thiazole

C4H5N2O2S2- — CID 90196579

IUPAC3-methyl-5-(sulfinatoamino)-1,2-thiazole
SMILESCc1cc(NS(=O)[O-])sn1
InChIInChI=1S/C4H6N2O2S2/c1-3-2-4(9-5-3)6-10(7)8/h2,6H,1H3,(H,7,8)/p-1
InChIKeyIIMCMEUDPJTLIV-UHFFFAOYSA-M
MW177.23 g/mol
LogP0.66
Rot. Bonds2

About 3-methyl-5-(sulfinatoamino)-1,2-thiazole

3-methyl-5-(sulfinatoamino)-1,2-thiazole (PubChem CID 90196579) has the molecular formula C4H5N2O2S2- and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-methyl-5-(sulfinatoamino)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(sulfinatoamino)-1,2-thiazole
PubChem CID90196579
Molecular FormulaC4H5N2O2S2-
Molecular Weight177.23 g/mol
Exact Mass176.98
IUPAC Name3-methyl-5-(sulfinatoamino)-1,2-thiazole
SMILESCc1cc(NS(=O)[O-])sn1
InChIInChI=1S/C4H6N2O2S2/c1-3-2-4(9-5-3)6-10(7)8/h2,6H,1H3,(H,7,8)/p-1
InChIKeyIIMCMEUDPJTLIV-UHFFFAOYSA-M
XLogP0.66
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(sulfinatoamino)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(sulfinatoamino)-1,2-thiazole (CID 90196579) is 3-methyl-5-(sulfinatoamino)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(sulfinatoamino)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(sulfinatoamino)-1,2-thiazole is Cc1cc(NS(=O)[O-])sn1.
What is the InChIKey of 3-methyl-5-(sulfinatoamino)-1,2-thiazole?
The InChIKey is IIMCMEUDPJTLIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2O2S2/c1-3-2-4(9-5-3)6-10(7)8/h2,6H,1H3,(H,7,8)/p-1.
What are the key properties of 3-methyl-5-(sulfinatoamino)-1,2-thiazole?
3-methyl-5-(sulfinatoamino)-1,2-thiazole has a molecular weight of 177.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(sulfinatoamino)-1,2-thiazole is sourced from PubChem (CID 90196579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).