1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

C14H16ClNO2S — CID 62798079

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)Cc1csc(C)n1
InChIInChI=1S/C14H16ClNO2S/c1-9-16-12(8-19-9)7-13(17)6-10-5-11(15)3-4-14(10)18-2/h3-5,8,13,17H,6-7H2,1-2H3
InChIKeyJLRXYKRYDZGLKR-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.26
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 62798079) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID62798079
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCOc1ccc(Cl)cc1CC(O)Cc1csc(C)n1
InChIInChI=1S/C14H16ClNO2S/c1-9-16-12(8-19-9)7-13(17)6-10-5-11(15)3-4-14(10)18-2/h3-5,8,13,17H,6-7H2,1-2H3
InChIKeyJLRXYKRYDZGLKR-UHFFFAOYSA-N
XLogP3.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(2-chloro-4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800032
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964
1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 62798079) is 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is COc1ccc(Cl)cc1CC(O)Cc1csc(C)n1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is JLRXYKRYDZGLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-9-16-12(8-19-9)7-13(17)6-10-5-11(15)3-4-14(10)18-2/h3-5,8,13,17H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 297.81 g/mol, XLogP of 3.26, 5 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)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 62798079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).