[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol

C12H14N2O3S — CID 82133850

IUPAC[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc(N)sc2CO)cc1OC
InChIInChI=1S/C12H14N2O3S/c1-16-8-4-3-7(5-9(8)17-2)11-10(6-15)18-12(13)14-11/h3-5,15H,6H2,1-2H3,(H2,13,14)
InChIKeyIUTKOBQCMGRBCG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.90
Rot. Bonds4

About [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol

[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82133850) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID82133850
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc(N)sc2CO)cc1OC
InChIInChI=1S/C12H14N2O3S/c1-16-8-4-3-7(5-9(8)17-2)11-10(6-15)18-12(13)14-11/h3-5,15H,6H2,1-2H3,(H2,13,14)
InChIKeyIUTKOBQCMGRBCG-UHFFFAOYSA-N
XLogP1.90
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82131960
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866785
[4-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82439229
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867508
2-[4-(3,4-dimethoxyphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]acetic acid
CID 97181011
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
[2-(3,4-dimethoxyphenyl)-3-pyridinyl]methanol
CID 54102100
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 141384892

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 82133850) is [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol is COc1ccc(-c2nc(N)sc2CO)cc1OC.
What is the InChIKey of [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is IUTKOBQCMGRBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-16-8-4-3-7(5-9(8)17-2)11-10(6-15)18-12(13)14-11/h3-5,15H,6H2,1-2H3,(H2,13,14).
What are the key properties of [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol?
[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 266.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82133850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).