(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

C13H16N2O2S — CID 43559005

IUPAC(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2ncc(C)s2)cc1OC
InChIInChI=1S/C13H16N2O2S/c1-8-7-15-13(18-8)12(14)9-4-5-10(16-2)11(6-9)17-3/h4-7,12H,14H2,1-3H3
InChIKeyOYIYJCJSOIZBJD-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.52
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 43559005) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID43559005
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCOc1ccc(C(N)c2ncc(C)s2)cc1OC
InChIInChI=1S/C13H16N2O2S/c1-8-7-15-13(18-8)12(14)9-4-5-10(16-2)11(6-9)17-3/h4-7,12H,14H2,1-3H3
InChIKeyOYIYJCJSOIZBJD-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-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 43558963
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105141195
(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43559003
(3,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105141242
(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 55039474
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63553809
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287703
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 43559005) is (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is COc1ccc(C(N)c2ncc(C)s2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is OYIYJCJSOIZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-7-15-13(18-8)12(14)9-4-5-10(16-2)11(6-9)17-3/h4-7,12H,14H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-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 (3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 43559005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).