(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium

C6H10N2O2S2 — CID 59280638

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1sc(C)nc1C
InChIInChI=1S/C6H10N2O2S2/c1-4-6(11-5(2)8-4)12(9,10)7-3/h3,7H2,1-2H3
InChIKeyDOEAPHDOWWRTPP-UHFFFAOYSA-N
MW206.29 g/mol
LogP-0.20
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium

(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium (PubChem CID 59280638) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium
PubChem CID59280638
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium
SMILES[CH2-][NH2+]S(=O)(=O)c1sc(C)nc1C
InChIInChI=1S/C6H10N2O2S2/c1-4-6(11-5(2)8-4)12(9,10)7-3/h3,7H2,1-2H3
InChIKeyDOEAPHDOWWRTPP-UHFFFAOYSA-N
XLogP-0.20
TPSA63.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium (CID 59280638) is (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium is [CH2-][NH2+]S(=O)(=O)c1sc(C)nc1C.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium?
The InChIKey is DOEAPHDOWWRTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-4-6(11-5(2)8-4)12(9,10)7-3/h3,7H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium?
(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium has a molecular weight of 206.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-methanidylazanium is sourced from PubChem (CID 59280638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).