2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

C11H17NO2S2 — CID 90310288

IUPAC2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O
InChIInChI=1S/C11H17NO2S2/c1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14/h5,7-8H,6H2,1-4H3
InChIKeySMZDIHJDCZPKTE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.78
Rot. Bonds2

About 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 90310288) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID90310288
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O
InChIInChI=1S/C11H17NO2S2/c1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14/h5,7-8H,6H2,1-4H3
InChIKeySMZDIHJDCZPKTE-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 90310288) is 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is CC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O.
What is the InChIKey of 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is SMZDIHJDCZPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14/h5,7-8H,6H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 259.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 90310288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).