2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol

C10H15NOS2 — CID 79951477

IUPAC2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol
SMILESCC1SCCCC1(O)Cc1nccs1
InChIInChI=1S/C10H15NOS2/c1-8-10(12,3-2-5-13-8)7-9-11-4-6-14-9/h4,6,8,12H,2-3,5,7H2,1H3
InChIKeyGVXLFKHEQJWPGR-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol

2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol (PubChem CID 79951477) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol
PubChem CID79951477
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol
SMILESCC1SCCCC1(O)Cc1nccs1
InChIInChI=1S/C10H15NOS2/c1-8-10(12,3-2-5-13-8)7-9-11-4-6-14-9/h4,6,8,12H,2-3,5,7H2,1H3
InChIKeyGVXLFKHEQJWPGR-UHFFFAOYSA-N
XLogP2.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol?
The IUPAC name of 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol (CID 79951477) is 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol is CC1SCCCC1(O)Cc1nccs1.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol?
The InChIKey is GVXLFKHEQJWPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-8-10(12,3-2-5-13-8)7-9-11-4-6-14-9/h4,6,8,12H,2-3,5,7H2,1H3.
What are the key properties of 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol?
2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol has a molecular weight of 229.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol is sourced from PubChem (CID 79951477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).