5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole

C15H22N4O2S2 — CID 126791349

IUPAC5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCS(=O)(=O)c1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C15H22N4O2S2/c1-11-13(22-10-16-11)8-9-23(20,21)15-17-14(18-19-15)7-6-12-4-2-3-5-12/h10,12H,2-9H2,1H3,(H,17,18,19)
InChIKeyWDFOAVZOIZBLSE-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.71
Rot. Bonds7

About 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole

5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 126791349) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole
PubChem CID126791349
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCS(=O)(=O)c1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C15H22N4O2S2/c1-11-13(22-10-16-11)8-9-23(20,21)15-17-14(18-19-15)7-6-12-4-2-3-5-12/h10,12H,2-9H2,1H3,(H,17,18,19)
InChIKeyWDFOAVZOIZBLSE-UHFFFAOYSA-N
XLogP2.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole (CID 126791349) is 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCS(=O)(=O)c1n[nH]c(CCC2CCCC2)n1.
What is the InChIKey of 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is WDFOAVZOIZBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-11-13(22-10-16-11)8-9-23(20,21)15-17-14(18-19-15)7-6-12-4-2-3-5-12/h10,12H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole?
5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 354.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfonyl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 126791349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).