4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine

C11H12N2O2S2 — CID 653276

IUPAC4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)Cc2csc(N)n2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyWEGQBJREVMHCEB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.01
Rot. Bonds3

About 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine

4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine (PubChem CID 653276) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine
PubChem CID653276
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)Cc2csc(N)n2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyWEGQBJREVMHCEB-UHFFFAOYSA-N
XLogP2.01
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine (CID 653276) is 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine is Cc1ccc(S(=O)(=O)Cc2csc(N)n2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
The InChIKey is WEGQBJREVMHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-6H,7H2,1H3,(H2,12,13).
What are the key properties of 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine?
4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 653276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).