4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine

C13H18N2O2S2 — CID 64550060

IUPAC4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(S(C)(=O)=O)cc2)=N1
InChIInChI=1S/C13H18N2O2S2/c1-4-13(2)9-18-12(15-13)14-10-5-7-11(8-6-10)19(3,16)17/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyWRGMVCZHJWHBGP-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.77
Rot. Bonds3

About 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine

4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine (PubChem CID 64550060) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine
PubChem CID64550060
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Name4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(S(C)(=O)=O)cc2)=N1
InChIInChI=1S/C13H18N2O2S2/c1-4-13(2)9-18-12(15-13)14-10-5-7-11(8-6-10)19(3,16)17/h5-8H,4,9H2,1-3H3,(H,14,15)
InChIKeyWRGMVCZHJWHBGP-UHFFFAOYSA-N
XLogP2.77
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine (CID 64550060) is 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2ccc(S(C)(=O)=O)cc2)=N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine?
The InChIKey is WRGMVCZHJWHBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-4-13(2)9-18-12(15-13)14-10-5-7-11(8-6-10)19(3,16)17/h5-8H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine?
4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine has a molecular weight of 298.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64550060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).