1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

C14H16ClNO2S — CID 115826173

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1nc(C)c(C)s1
InChIInChI=1S/C14H16ClNO2S/c1-8-9(2)19-14(16-8)7-12(17)11-6-10(15)4-5-13(11)18-3/h4-6,12,17H,7H2,1-3H3
InChIKeyBCRDYWCZFKIDRQ-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.70
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol

1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (PubChem CID 115826173) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
PubChem CID115826173
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1nc(C)c(C)s1
InChIInChI=1S/C14H16ClNO2S/c1-8-9(2)19-14(16-8)7-12(17)11-6-10(15)4-5-13(11)18-3/h4-6,12,17H,7H2,1-3H3
InChIKeyBCRDYWCZFKIDRQ-UHFFFAOYSA-N
XLogP3.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 115802739
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115812967
1-(2-bromo-3,4-difluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 107538340
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826147
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol (CID 115826173) is 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is COc1ccc(Cl)cc1C(O)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is BCRDYWCZFKIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-8-9(2)19-14(16-8)7-12(17)11-6-10(15)4-5-13(11)18-3/h4-6,12,17H,7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol?
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 297.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 115826173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).