4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole

C11H16N4O4S3 — CID 166373193

IUPAC4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCCn1cc(CS(=O)(=O)Cc2csc(CS(C)(=O)=O)n2)nn1
InChIInChI=1S/C11H16N4O4S3/c1-3-15-4-9(13-14-15)6-22(18,19)7-10-5-20-11(12-10)8-21(2,16)17/h4-5H,3,6-8H2,1-2H3
InChIKeyXEVNFNJVZKRQQV-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.41
Rot. Bonds7

About 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole

4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 166373193) has the molecular formula C11H16N4O4S3 and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID166373193
Molecular FormulaC11H16N4O4S3
Molecular Weight364.47 g/mol
Exact Mass364.03
IUPAC Name4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCCn1cc(CS(=O)(=O)Cc2csc(CS(C)(=O)=O)n2)nn1
InChIInChI=1S/C11H16N4O4S3/c1-3-15-4-9(13-14-15)6-22(18,19)7-10-5-20-11(12-10)8-21(2,16)17/h4-5H,3,6-8H2,1-2H3
InChIKeyXEVNFNJVZKRQQV-UHFFFAOYSA-N
XLogP0.41
TPSA111.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 167915071
2-methyl-4-[[4-(methylsulfonylmethyl)triazol-1-yl]methyl]-1,3-thiazole
CID 166248045
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 115665483
2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylaniline
CID 71986927
1-ethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonylmethyl]triazole
CID 166257966
4-(methylsulfonylmethyl)-1-prop-2-enyltriazole
CID 82204813
2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
CID 117187031
N-ethyl-2-fluoro-3-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 138056231
bis(1,4-diethyltriazole);ethane
CID 160569546
2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
CID 84789431
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-propyl-1,3-thiazole
CID 62400670

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole (CID 166373193) is 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole is CCn1cc(CS(=O)(=O)Cc2csc(CS(C)(=O)=O)n2)nn1.
What is the InChIKey of 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is XEVNFNJVZKRQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S3/c1-3-15-4-9(13-14-15)6-22(18,19)7-10-5-20-11(12-10)8-21(2,16)17/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 364.47 g/mol, XLogP of 0.41, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyltriazol-4-yl)methylsulfonylmethyl]-2-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 166373193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).