5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol

C8H11NOS2 — CID 130604949

IUPAC5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESCC1CC(O)(c2ccsn2)CS1
InChIInChI=1S/C8H11NOS2/c1-6-4-8(10,5-11-6)7-2-3-12-9-7/h2-3,6,10H,4-5H2,1H3
InChIKeyWNSCDGHLKBGCNJ-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.86
Rot. Bonds1

About 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol

5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol (PubChem CID 130604949) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
PubChem CID130604949
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESCC1CC(O)(c2ccsn2)CS1
InChIInChI=1S/C8H11NOS2/c1-6-4-8(10,5-11-6)7-2-3-12-9-7/h2-3,6,10H,4-5H2,1H3
InChIKeyWNSCDGHLKBGCNJ-UHFFFAOYSA-N
XLogP1.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
1-(1,2-Thiazol-3-yl)-1-thiophen-3-ylethanol
CID 127003876
1,1-Dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604801
Dicyclopropyl(1,2-thiazol-3-yl)methanol
CID 130604879

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The IUPAC name of 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol (CID 130604949) is 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol.
What is the SMILES notation for 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The canonical SMILES for 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol is CC1CC(O)(c2ccsn2)CS1.
What is the InChIKey of 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The InChIKey is WNSCDGHLKBGCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-6-4-8(10,5-11-6)7-2-3-12-9-7/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol?
5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol has a molecular weight of 201.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol is sourced from PubChem (CID 130604949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).