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

C11H17NO3S2 — CID 115091052

IUPAC1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C11H17NO3S2/c1-8(13)10-6-12-11(16-10)5-9-3-2-4-17(14,15)7-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyPGKFRDUOBFIHCB-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.56
Rot. Bonds3

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

1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 115091052) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
PubChem CID115091052
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C11H17NO3S2/c1-8(13)10-6-12-11(16-10)5-9-3-2-4-17(14,15)7-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyPGKFRDUOBFIHCB-UHFFFAOYSA-N
XLogP1.56
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol with MolForge

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Related Compounds

2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090067
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090326
2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazole-5-carbaldehyde
CID 115091065
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
CID 115090169
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088925
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090223
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090109
2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 115090145
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090753
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115085191
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol (CID 115091052) is 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(CC2CCCS(=O)(=O)C2)s1.
What is the InChIKey of 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is PGKFRDUOBFIHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-8(13)10-6-12-11(16-10)5-9-3-2-4-17(14,15)7-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol?
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 275.39 g/mol, XLogP of 1.56, 3 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)methyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115091052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).