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

C8H11NOS2 — CID 126985769

IUPAC3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol
SMILESCc1cc(C2(O)CCSC2)sn1
InChIInChI=1S/C8H11NOS2/c1-6-4-7(12-9-6)8(10)2-3-11-5-8/h4,10H,2-3,5H2,1H3
InChIKeyIQEOVZKNGBMLCT-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.78
Rot. Bonds1

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

3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol (PubChem CID 126985769) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol.

Molecular Properties

Compound Name3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol
PubChem CID126985769
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol
SMILESCc1cc(C2(O)CCSC2)sn1
InChIInChI=1S/C8H11NOS2/c1-6-4-7(12-9-6)8(10)2-3-11-5-8/h4,10H,2-3,5H2,1H3
InChIKeyIQEOVZKNGBMLCT-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581
1-(3-Methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol
CID 127003878
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130604864
5-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604949
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130646530
1-(2-Methylcyclopropyl)-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130647551
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
2-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130655610
3,3-Dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130656094

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
The IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol (CID 126985769) is 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol.
What is the SMILES notation for 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
The canonical SMILES for 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol is Cc1cc(C2(O)CCSC2)sn1.
What is the InChIKey of 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
The InChIKey is IQEOVZKNGBMLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-6-4-7(12-9-6)8(10)2-3-11-5-8/h4,10H,2-3,5H2,1H3.
What are the key properties of 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol has a molecular weight of 201.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol is sourced from PubChem (CID 126985769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).