2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole

C9H14N2O2S2 — CID 127408516

IUPAC2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C9H14N2O2S2/c1-7-9(14-8(2)10-7)15(12,13)11-5-3-4-6-11/h3-6H2,1-2H3
InChIKeyKZAKAMCZPKRYTE-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.54
Rot. Bonds2

About 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole

2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole (PubChem CID 127408516) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
PubChem CID127408516
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
SMILESCc1nc(C)c(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C9H14N2O2S2/c1-7-9(14-8(2)10-7)15(12,13)11-5-3-4-6-11/h3-6H2,1-2H3
InChIKeyKZAKAMCZPKRYTE-UHFFFAOYSA-N
XLogP1.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole (CID 127408516) is 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole is Cc1nc(C)c(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
The InChIKey is KZAKAMCZPKRYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-7-9(14-8(2)10-7)15(12,13)11-5-3-4-6-11/h3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole?
2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole has a molecular weight of 246.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 127408516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).