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

C7H7N3O2S2 — CID 119087202

IUPAC2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCCS(=O)(=O)c1nc2cncnc2s1
InChIInChI=1S/C7H7N3O2S2/c1-2-14(11,12)7-10-5-3-8-4-9-6(5)13-7/h3-4H,2H2,1H3
InChIKeySLJBTXVYVLFQPK-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.88
Rot. Bonds2

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

2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 119087202) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID119087202
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCCS(=O)(=O)c1nc2cncnc2s1
InChIInChI=1S/C7H7N3O2S2/c1-2-14(11,12)7-10-5-3-8-4-9-6(5)13-7/h3-4H,2H2,1H3
InChIKeySLJBTXVYVLFQPK-UHFFFAOYSA-N
XLogP0.88
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-ylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 119087205
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
5-bromo-2-ethylsulfonyl-1,3-thiazole
CID 117190341
2-[(5-methylpyrimidin-2-yl)methylsulfonyl]-1,3-benzothiazole
CID 165097232
5-ethylsulfonyl-2-iodo-1,3-thiazole
CID 118088244
6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine
CID 130267327
1-ethylsulfonylethane;1,3,5-triazine
CID 160830785
N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 145312558
2-ethylsulfonylquinoxaline
CID 14342170
N-ethylpyrimido[5,4-d]pyrimidin-2-amine
CID 140978165
6-(2,2-dimethylpropyl)pteridine
CID 118285087

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 119087202) is 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine is CCS(=O)(=O)c1nc2cncnc2s1.
What is the InChIKey of 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is SLJBTXVYVLFQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c1-2-14(11,12)7-10-5-3-8-4-9-6(5)13-7/h3-4H,2H2,1H3.
What are the key properties of 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 119087202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).