5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol

C9H13NOS2 — CID 112642022

IUPAC5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol
SMILESCC1CC(O)(Cc2cncs2)CS1
InChIInChI=1S/C9H13NOS2/c1-7-2-9(11,5-12-7)3-8-4-10-6-13-8/h4,6-7,11H,2-3,5H2,1H3
InChIKeyZSVJKOLBSDZCJP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.94
Rot. Bonds2

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

5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol (PubChem CID 112642022) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol
PubChem CID112642022
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol
SMILESCC1CC(O)(Cc2cncs2)CS1
InChIInChI=1S/C9H13NOS2/c1-7-2-9(11,5-12-7)3-8-4-10-6-13-8/h4,6-7,11H,2-3,5H2,1H3
InChIKeyZSVJKOLBSDZCJP-UHFFFAOYSA-N
XLogP1.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromofuran-2-yl)methyl]-5-methylthiolan-3-ol
CID 131067612
4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641803
2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641948
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806
1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 112642072
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile
CID 112645123
5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
CID 112645456
2-methoxy-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
CID 106873763
5-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-1,3-thiazole
CID 114535901
(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 171774639
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol?
The IUPAC name of 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol (CID 112642022) is 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol?
The canonical SMILES for 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol is CC1CC(O)(Cc2cncs2)CS1.
What is the InChIKey of 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol?
The InChIKey is ZSVJKOLBSDZCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-7-2-9(11,5-12-7)3-8-4-10-6-13-8/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol?
5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol has a molecular weight of 215.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 112642022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).