4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole

C8H13NO2S2 — CID 131984210

IUPAC4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole
SMILESCCS(=O)(=O)c1cnsc1C(C)C
InChIInChI=1S/C8H13NO2S2/c1-4-13(10,11)7-5-9-12-8(7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyJYQKUYJBDCDGMT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.06
Rot. Bonds3

About 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole

4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole (PubChem CID 131984210) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole
PubChem CID131984210
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole
SMILESCCS(=O)(=O)c1cnsc1C(C)C
InChIInChI=1S/C8H13NO2S2/c1-4-13(10,11)7-5-9-12-8(7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyJYQKUYJBDCDGMT-UHFFFAOYSA-N
XLogP2.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole?
The IUPAC name of 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole (CID 131984210) is 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole?
The canonical SMILES for 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole is CCS(=O)(=O)c1cnsc1C(C)C.
What is the InChIKey of 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole?
The InChIKey is JYQKUYJBDCDGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-4-13(10,11)7-5-9-12-8(7)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole?
4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole has a molecular weight of 219.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 131984210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).