N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

C13H16N2O2S — CID 63363217

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(C)cs2)c(OC)c1
InChIInChI=1S/C13H16N2O2S/c1-9-8-18-13(15-9)14-7-10-4-5-11(16-2)6-12(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyNGQAXZYYGIPPIZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.08
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 63363217) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID63363217
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(C)cs2)c(OC)c1
InChIInChI=1S/C13H16N2O2S/c1-9-8-18-13(15-9)14-7-10-4-5-11(16-2)6-12(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyNGQAXZYYGIPPIZ-UHFFFAOYSA-N
XLogP3.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine
CID 66652908
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
5-N-[(2,4-dimethoxyphenyl)methyl]-3-N-(3-methoxypropyl)-1,2,4-thiadiazole-3,5-diamine
CID 142434981
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
CID 57476570
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 63363217) is N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(CNc2nc(C)cs2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NGQAXZYYGIPPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-8-18-13(15-9)14-7-10-4-5-11(16-2)6-12(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63363217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).