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

C12H14N2O3S — CID 113370193

IUPAC(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cnc(N)s2)c(OC)c1
InChIInChI=1S/C12H14N2O3S/c1-16-7-3-4-8(9(5-7)17-2)11(15)10-6-14-12(13)18-10/h3-6,11,15H,1-2H3,(H2,13,14)
InChIKeyCFPQRXBVMBUESQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.82
Rot. Bonds4

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

(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol (PubChem CID 113370193) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
PubChem CID113370193
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cnc(N)s2)c(OC)c1
InChIInChI=1S/C12H14N2O3S/c1-16-7-3-4-8(9(5-7)17-2)11(15)10-6-14-12(13)18-10/h3-6,11,15H,1-2H3,(H2,13,14)
InChIKeyCFPQRXBVMBUESQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105096021
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61089487
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
CID 105095989
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2,4-dimethoxyphenyl)-pyrimidin-4-ylmethanol
CID 63989129
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ol
CID 67563046

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol (CID 113370193) is (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cnc(N)s2)c(OC)c1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol?
The InChIKey is CFPQRXBVMBUESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-16-7-3-4-8(9(5-7)17-2)11(15)10-6-14-12(13)18-10/h3-6,11,15H,1-2H3,(H2,13,14).
What are the key properties of (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol?
(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol has a molecular weight of 266.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 113370193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).