2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine

C8H9N3O2S2 — CID 119087205

IUPAC2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC(C)S(=O)(=O)c1nc2cncnc2s1
InChIInChI=1S/C8H9N3O2S2/c1-5(2)15(12,13)8-11-6-3-9-4-10-7(6)14-8/h3-5H,1-2H3
InChIKeyVBARUFUYVUUTAU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds2

About 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine

2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 119087205) has the molecular formula C8H9N3O2S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID119087205
Molecular FormulaC8H9N3O2S2
Molecular Weight243.31 g/mol
Exact Mass243.01
IUPAC Name2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC(C)S(=O)(=O)c1nc2cncnc2s1
InChIInChI=1S/C8H9N3O2S2/c1-5(2)15(12,13)8-11-6-3-9-4-10-7(6)14-8/h3-5H,1-2H3
InChIKeyVBARUFUYVUUTAU-UHFFFAOYSA-N
XLogP1.27
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 119087202
2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
CID 58470040
N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 144771453
6-azido-2-propan-2-ylsulfonyl-1,3-benzothiazole
CID 169326067
9-propan-2-ylpurine-8-sulfonic acid
CID 174675108
3-[(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)amino]propane-1,2-diol
CID 168595171
2-(1-phenylethylsulfonyl)-1,3-benzothiazole
CID 13383609
2,4-dimethyl-N-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole-5-sulfonamide
CID 167818787
6-propan-2-ylpteridine
CID 59283430
6-chloro-2-propan-2-ylsulfonylquinoxaline
CID 70550712
1-(3-fluoro-4-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83288085
6-propan-2-ylpyrido[3,4-d]pyrimidine
CID 59592820

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 119087205) is 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine is CC(C)S(=O)(=O)c1nc2cncnc2s1.
What is the InChIKey of 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is VBARUFUYVUUTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S2/c1-5(2)15(12,13)8-11-6-3-9-4-10-7(6)14-8/h3-5H,1-2H3.
What are the key properties of 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 119087205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).