1,2-thiazol-3-yl(thiolan-3-yl)methanol

C8H11NOS2 — CID 130694348

IUPAC1,2-thiazol-3-yl(thiolan-3-yl)methanol
SMILESOC(c1ccsn1)C1CCSC1
InChIInChI=1S/C8H11NOS2/c10-8(6-1-3-11-5-6)7-2-4-12-9-7/h2,4,6,8,10H,1,3,5H2
InChIKeyIODASTRGTRWLSS-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.93
Rot. Bonds2

About 1,2-thiazol-3-yl(thiolan-3-yl)methanol

1,2-thiazol-3-yl(thiolan-3-yl)methanol (PubChem CID 130694348) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1,2-thiazol-3-yl(thiolan-3-yl)methanol.

Molecular Properties

Compound Name1,2-thiazol-3-yl(thiolan-3-yl)methanol
PubChem CID130694348
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name1,2-thiazol-3-yl(thiolan-3-yl)methanol
SMILESOC(c1ccsn1)C1CCSC1
InChIInChI=1S/C8H11NOS2/c10-8(6-1-3-11-5-6)7-2-4-12-9-7/h2,4,6,8,10H,1,3,5H2
InChIKeyIODASTRGTRWLSS-UHFFFAOYSA-N
XLogP1.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
1,1-Dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604801

Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-yl(thiolan-3-yl)methanol?
The IUPAC name of 1,2-thiazol-3-yl(thiolan-3-yl)methanol (CID 130694348) is 1,2-thiazol-3-yl(thiolan-3-yl)methanol.
What is the SMILES notation for 1,2-thiazol-3-yl(thiolan-3-yl)methanol?
The canonical SMILES for 1,2-thiazol-3-yl(thiolan-3-yl)methanol is OC(c1ccsn1)C1CCSC1.
What is the InChIKey of 1,2-thiazol-3-yl(thiolan-3-yl)methanol?
The InChIKey is IODASTRGTRWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c10-8(6-1-3-11-5-6)7-2-4-12-9-7/h2,4,6,8,10H,1,3,5H2.
What are the key properties of 1,2-thiazol-3-yl(thiolan-3-yl)methanol?
1,2-thiazol-3-yl(thiolan-3-yl)methanol has a molecular weight of 201.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-yl(thiolan-3-yl)methanol is sourced from PubChem (CID 130694348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).