1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol

C8H13NOS2 — CID 62693449

IUPAC1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
SMILESCSCc1nc(C)c(C(C)O)s1
InChIInChI=1S/C8H13NOS2/c1-5-8(6(2)10)12-7(9-5)4-11-3/h6,10H,4H2,1-3H3
InChIKeyXXEIDEIIRYREJC-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.37
Rot. Bonds3

About 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 62693449) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID62693449
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
SMILESCSCc1nc(C)c(C(C)O)s1
InChIInChI=1S/C8H13NOS2/c1-5-8(6(2)10)12-7(9-5)4-11-3/h6,10H,4H2,1-3H3
InChIKeyXXEIDEIIRYREJC-UHFFFAOYSA-N
XLogP2.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol (CID 62693449) is 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol is CSCc1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is XXEIDEIIRYREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS2/c1-5-8(6(2)10)12-7(9-5)4-11-3/h6,10H,4H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 203.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62693449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).