(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine

C13H16N2O2S — CID 113223365

IUPAC(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2cnc(C)s2)c1
InChIInChI=1S/C13H16N2O2S/c1-8-15-7-12(18-8)13(14)10-6-9(16-2)4-5-11(10)17-3/h4-7,13H,14H2,1-3H3
InChIKeyWZZHECZONCKIDT-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.52
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine

(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 113223365) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID113223365
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2cnc(C)s2)c1
InChIInChI=1S/C13H16N2O2S/c1-8-15-7-12(18-8)13(14)10-6-9(16-2)4-5-11(10)17-3/h4-7,13H,14H2,1-3H3
InChIKeyWZZHECZONCKIDT-UHFFFAOYSA-N
XLogP2.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105145782
1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066787
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine (CID 113223365) is (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine is COc1ccc(OC)c(C(N)c2cnc(C)s2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is WZZHECZONCKIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-15-7-12(18-8)13(14)10-6-9(16-2)4-5-11(10)17-3/h4-7,13H,14H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine?
(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 113223365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).