[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

C12H11Cl2NO2S — CID 82441284

IUPAC[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(-c2c(Cl)cccc2Cl)sc1CO
InChIInChI=1S/C12H11Cl2NO2S/c1-17-6-9-10(5-16)18-12(15-9)11-7(13)3-2-4-8(11)14/h2-4,16H,5-6H2,1H3
InChIKeyQRTIUZSRLXKDNO-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.76
Rot. Bonds4

About [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82441284) has the molecular formula C12H11Cl2NO2S and a molecular weight of 304.20 g/mol. Its IUPAC name is [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82441284
Molecular FormulaC12H11Cl2NO2S
Molecular Weight304.20 g/mol
Exact Mass302.99
IUPAC Name[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(-c2c(Cl)cccc2Cl)sc1CO
InChIInChI=1S/C12H11Cl2NO2S/c1-17-6-9-10(5-16)18-12(15-9)11-7(13)3-2-4-8(11)14/h2-4,16H,5-6H2,1H3
InChIKeyQRTIUZSRLXKDNO-UHFFFAOYSA-N
XLogP3.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 82441284) is [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(-c2c(Cl)cccc2Cl)sc1CO.
What is the InChIKey of [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is QRTIUZSRLXKDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2S/c1-17-6-9-10(5-16)18-12(15-9)11-7(13)3-2-4-8(11)14/h2-4,16H,5-6H2,1H3.
What are the key properties of [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 304.20 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82441284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).