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

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Related Compounds

4-[2-(1-methylpiperidin-4-yl)-4-(3-methylsulfonylphenyl)-1,3-thiazol-5-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 145991168
N-[4-[2-(ethylamino)-4-pyridin-3-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]methanesulfonamide
CID 118741415
4-(4-Fluorophenyl)-5-[2-(methanesulfinyl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 15604480
4-[4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58345842
4-[4-[3-[(2,5-difluorophenyl)sulfonylmethyl]-4-fluorophenyl]-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58345875
4-[4-[3-[(2,5-Difluorophenyl)sulfonylmethyl]-4-fluorophenyl]-2-(oxan-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 58345893
4-[4-[3-[(2,6-Difluorophenyl)sulfonylmethyl]-2-fluorophenyl]-2-(oxan-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 58345896
1-[3-[5-(2-Aminopyrimidin-4-yl)-2-(4-methyloxan-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 67193338
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 67196540
N-[3-[5-[2-(2-cyanoethylamino)pyrimidin-4-yl]-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 68345012
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 68345037
N-[2-fluoro-3-[5-[2-(2-methylpropylamino)pyrimidin-4-yl]-2-(oxan-4-yl)-1,3-thiazol-4-yl]phenyl]propane-1-sulfonamide
CID 68345295

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).