(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol

C11H10ClNOS2 — CID 80693138

IUPAC(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(SCc2ccccc2)nc1Cl
InChIInChI=1S/C11H10ClNOS2/c12-10-9(6-14)16-11(13-10)15-7-8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChIKeyXPUCYKCLJFHKCO-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.58
Rot. Bonds4

About (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol

(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol (PubChem CID 80693138) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
PubChem CID80693138
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(SCc2ccccc2)nc1Cl
InChIInChI=1S/C11H10ClNOS2/c12-10-9(6-14)16-11(13-10)15-7-8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChIKeyXPUCYKCLJFHKCO-UHFFFAOYSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol (CID 80693138) is (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol is OCc1sc(SCc2ccccc2)nc1Cl.
What is the InChIKey of (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
The InChIKey is XPUCYKCLJFHKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c12-10-9(6-14)16-11(13-10)15-7-8-4-2-1-3-5-8/h1-5,14H,6-7H2.
What are the key properties of (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol?
(2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol has a molecular weight of 271.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 80693138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).