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

C9H13NOS2 — CID 131153936

IUPAC5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol
SMILESCc1cc(C2(O)CSC(C)C2)sn1
InChIInChI=1S/C9H13NOS2/c1-6-3-8(13-10-6)9(11)4-7(2)12-5-9/h3,7,11H,4-5H2,1-2H3
InChIKeyUDKRBHHSWSHLHW-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.16
Rot. Bonds1

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

5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol (PubChem CID 131153936) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol
PubChem CID131153936
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol
SMILESCc1cc(C2(O)CSC(C)C2)sn1
InChIInChI=1S/C9H13NOS2/c1-6-3-8(13-10-6)9(11)4-7(2)12-5-9/h3,7,11H,4-5H2,1-2H3
InChIKeyUDKRBHHSWSHLHW-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.16
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
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
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
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
The IUPAC name of 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol (CID 131153936) is 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol.
What is the SMILES notation for 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
The canonical SMILES for 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol is Cc1cc(C2(O)CSC(C)C2)sn1.
What is the InChIKey of 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
The InChIKey is UDKRBHHSWSHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-6-3-8(13-10-6)9(11)4-7(2)12-5-9/h3,7,11H,4-5H2,1-2H3.
What are the key properties of 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol?
5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol is sourced from PubChem (CID 131153936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).