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

C9H13NOS2 — CID 131020689

IUPAC(3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol
SMILESCc1cc(C(O)C2CCCS2)sn1
InChIInChI=1S/C9H13NOS2/c1-6-5-8(13-10-6)9(11)7-3-2-4-12-7/h5,7,9,11H,2-4H2,1H3
InChIKeySTCRUTOLHDLFOF-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.38
Rot. Bonds2

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

(3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol (PubChem CID 131020689) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol
PubChem CID131020689
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol
SMILESCc1cc(C(O)C2CCCS2)sn1
InChIInChI=1S/C9H13NOS2/c1-6-5-8(13-10-6)9(11)7-3-2-4-12-7/h5,7,9,11H,2-4H2,1H3
InChIKeySTCRUTOLHDLFOF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
(3-Fluorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130653495
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
3-Ethyl-5-isothiazolemethanol
CID 89816508
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
(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
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130604877
Cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604889
1-(3-Methyl-1,2-thiazol-5-yl)butane-1,2-diol
CID 130621249
(1-Methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
CID 130632212

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol (CID 131020689) is (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol is Cc1cc(C(O)C2CCCS2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol?
The InChIKey is STCRUTOLHDLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-6-5-8(13-10-6)9(11)7-3-2-4-12-7/h5,7,9,11H,2-4H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol?
(3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol has a molecular weight of 215.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(thiolan-2-yl)methanol is sourced from PubChem (CID 131020689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).