5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine

C13H16N4O3S2 — CID 164606196

IUPAC5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1nccc(-c2sc(N)nc2C2CCOCC2)n1
InChIInChI=1S/C13H16N4O3S2/c1-22(18,19)13-15-5-2-9(16-13)11-10(17-12(14)21-11)8-3-6-20-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H2,14,17)
InChIKeyFWRAJNZAQJTDDZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.48
Rot. Bonds3

About 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine

5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 164606196) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID164606196
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1nccc(-c2sc(N)nc2C2CCOCC2)n1
InChIInChI=1S/C13H16N4O3S2/c1-22(18,19)13-15-5-2-9(16-13)11-10(17-12(14)21-11)8-3-6-20-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H2,14,17)
InChIKeyFWRAJNZAQJTDDZ-UHFFFAOYSA-N
XLogP1.48
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine (CID 164606196) is 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine is CS(=O)(=O)c1nccc(-c2sc(N)nc2C2CCOCC2)n1.
What is the InChIKey of 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is FWRAJNZAQJTDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-22(18,19)13-15-5-2-9(16-13)11-10(17-12(14)21-11)8-3-6-20-7-4-8/h2,5,8H,3-4,6-7H2,1H3,(H2,14,17).
What are the key properties of 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine?
5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 340.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylpyrimidin-4-yl)-4-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164606196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).