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

C9H13NOS2 — CID 126985730

IUPACthian-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CCCCS1
InChIInChI=1S/C9H13NOS2/c11-9(7-4-6-13-10-7)8-3-1-2-5-12-8/h4,6,8-9,11H,1-3,5H2
InChIKeyPBZVRNDDMVWOHA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.46
Rot. Bonds2

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

thian-2-yl(1,2-thiazol-3-yl)methanol (PubChem CID 126985730) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is thian-2-yl(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Namethian-2-yl(1,2-thiazol-3-yl)methanol
PubChem CID126985730
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Namethian-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CCCCS1
InChIInChI=1S/C9H13NOS2/c11-9(7-4-6-13-10-7)8-3-1-2-5-12-8/h4,6,8-9,11H,1-3,5H2
InChIKeyPBZVRNDDMVWOHA-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
1-(1,2-Thiazol-3-yl)propane-1,2-diol
CID 130604797
(1-Methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
CID 130632212
2-(Thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130637260
1-(1,2-Thiazol-3-yl)cyclohex-2-en-1-ol
CID 130649840
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 130663123
4,4-Dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol
CID 130667468
1,2-Thiazol-3-yl(thiolan-3-yl)methanol
CID 130694348

Frequently Asked Questions

What is the IUPAC name of thian-2-yl(1,2-thiazol-3-yl)methanol?
The IUPAC name of thian-2-yl(1,2-thiazol-3-yl)methanol (CID 126985730) is thian-2-yl(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for thian-2-yl(1,2-thiazol-3-yl)methanol?
The canonical SMILES for thian-2-yl(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)C1CCCCS1.
What is the InChIKey of thian-2-yl(1,2-thiazol-3-yl)methanol?
The InChIKey is PBZVRNDDMVWOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c11-9(7-4-6-13-10-7)8-3-1-2-5-12-8/h4,6,8-9,11H,1-3,5H2.
What are the key properties of thian-2-yl(1,2-thiazol-3-yl)methanol?
thian-2-yl(1,2-thiazol-3-yl)methanol has a molecular weight of 215.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thian-2-yl(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 126985730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).