4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

C10H10N2O2S2 — CID 2759531

IUPAC4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C10H10N2O2S2/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKeyVQEMDSRIOVZAOM-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.80
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 2759531) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID2759531
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C10H10N2O2S2/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKeyVQEMDSRIOVZAOM-UHFFFAOYSA-N
XLogP1.80
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (CID 2759531) is 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is CS(=O)(=O)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is VQEMDSRIOVZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(11)12-9/h2-6H,1H3,(H2,11,12).
What are the key properties of 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 254.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2759531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).