(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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Related Compounds

2-benzylsulfanyl-7-chloro-[1,3]thiazolo[5,4-d]pyrimidine
CID 15143169
[4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol
CID 130162599
[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693032
[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693463
2-benzylsulfanyl-1,3-benzothiazol-6-ol
CID 14749857
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693034
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol
CID 107772316
1-benzylsulfanyl-3-chloroisoquinoline
CID 97182203
2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
CID 11021483
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
CID 95528650
[4-chloro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693370

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).