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

C10H7Cl2NOS — CID 66801740

IUPAC[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H7Cl2NOS/c11-7-2-1-3-8(12)9(7)10-13-6(4-14)5-15-10/h1-3,5,14H,4H2
InChIKeyAMDDJXIORLMWJJ-UHFFFAOYSA-N
MW260.14 g/mol
LogP3.61
Rot. Bonds2

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

[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol (PubChem CID 66801740) has the molecular formula C10H7Cl2NOS and a molecular weight of 260.14 g/mol. Its IUPAC name is [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
PubChem CID66801740
Molecular FormulaC10H7Cl2NOS
Molecular Weight260.14 g/mol
Exact Mass258.96
IUPAC Name[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H7Cl2NOS/c11-7-2-1-3-8(12)9(7)10-13-6(4-14)5-15-10/h1-3,5,14H,4H2
InChIKeyAMDDJXIORLMWJJ-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
2-(2,6-dichlorophenyl)-1,3-thiazole-4-carbothioamide
CID 82515860
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 113456409
N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9095733
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol
CID 82808096
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
methyl (2S)-2-[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]oxy-2-phenylacetate
CID 30926944
(2S,3R)-2-[[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 29130855
6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 121344488
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
CID 155289704
(2R)-2-[[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 96565107

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol (CID 66801740) is [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol is OCc1csc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is AMDDJXIORLMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS/c11-7-2-1-3-8(12)9(7)10-13-6(4-14)5-15-10/h1-3,5,14H,4H2.
What are the key properties of [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol?
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 260.14 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 66801740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).