1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol

C10H15NO3S2 — CID 115090326

IUPAC1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C10H15NO3S2/c1-7(12)9-5-11-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyKVEGKRJNXREQNC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.49
Rot. Bonds2

About 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 115090326) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID115090326
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C10H15NO3S2/c1-7(12)9-5-11-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8,12H,2-4,6H2,1H3
InChIKeyKVEGKRJNXREQNC-UHFFFAOYSA-N
XLogP1.49
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115091052
1-[2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]ethanol
CID 62653204
1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090336
1-(2-piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089750
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085576
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
CID 115090612
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanol
CID 63250668
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol (CID 115090326) is 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(C2CCCS(=O)(=O)C2)s1.
What is the InChIKey of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is KVEGKRJNXREQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-7(12)9-5-11-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8,12H,2-4,6H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 261.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115090326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).