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

C9H13NOS2 — CID 130632212

IUPAC(1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
SMILESCSC1(C(O)c2ccsn2)CCC1
InChIInChI=1S/C9H13NOS2/c1-12-9(4-2-5-9)8(11)7-3-6-13-10-7/h3,6,8,11H,2,4-5H2,1H3
InChIKeyAKJVTJMTBQNIIU-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.46
Rot. Bonds3

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

(1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol (PubChem CID 130632212) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
PubChem CID130632212
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name(1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
SMILESCSC1(C(O)c2ccsn2)CCC1
InChIInChI=1S/C9H13NOS2/c1-12-9(4-2-5-9)8(11)7-3-6-13-10-7/h3,6,8,11H,2,4-5H2,1H3
InChIKeyAKJVTJMTBQNIIU-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol (CID 130632212) is (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol is CSC1(C(O)c2ccsn2)CCC1.
What is the InChIKey of (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is AKJVTJMTBQNIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-12-9(4-2-5-9)8(11)7-3-6-13-10-7/h3,6,8,11H,2,4-5H2,1H3.
What are the key properties of (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol?
(1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 215.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130632212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).