[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol

C10H6Cl3NOS2 — CID 80693463

IUPAC[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C10H6Cl3NOS2/c11-6-2-1-5(3-7(6)12)16-10-14-9(13)8(4-15)17-10/h1-3,15H,4H2
InChIKeyBISWMIFLEBKSEJ-UHFFFAOYSA-N
MW326.66 g/mol
LogP4.75
Rot. Bonds3

About [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol

[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol (PubChem CID 80693463) has the molecular formula C10H6Cl3NOS2 and a molecular weight of 326.66 g/mol. Its IUPAC name is [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol
PubChem CID80693463
Molecular FormulaC10H6Cl3NOS2
Molecular Weight326.66 g/mol
Exact Mass324.90
IUPAC Name[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C10H6Cl3NOS2/c11-6-2-1-5(3-7(6)12)16-10-14-9(13)8(4-15)17-10/h1-3,15H,4H2
InChIKeyBISWMIFLEBKSEJ-UHFFFAOYSA-N
XLogP4.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.66
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol (CID 80693463) is [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol is OCc1sc(Sc2ccc(Cl)c(Cl)c2)nc1Cl.
What is the InChIKey of [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol?
The InChIKey is BISWMIFLEBKSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NOS2/c11-6-2-1-5(3-7(6)12)16-10-14-9(13)8(4-15)17-10/h1-3,15H,4H2.
What are the key properties of [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol has a molecular weight of 326.66 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3,4-dichlorophenyl)sulfanyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).