N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine

C12H14N2O2S — CID 66652908

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine
SMILESCOc1ccc(CNc2ccns2)c(OC)c1
InChIInChI=1S/C12H14N2O2S/c1-15-10-4-3-9(11(7-10)16-2)8-13-12-5-6-14-17-12/h3-7,13H,8H2,1-2H3
InChIKeyDCKGGTHYCUMWGP-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.77
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine (PubChem CID 66652908) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine
PubChem CID66652908
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine
SMILESCOc1ccc(CNc2ccns2)c(OC)c1
InChIInChI=1S/C12H14N2O2S/c1-15-10-4-3-9(11(7-10)16-2)8-13-12-5-6-14-17-12/h3-7,13H,8H2,1-2H3
InChIKeyDCKGGTHYCUMWGP-UHFFFAOYSA-N
XLogP2.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine (CID 66652908) is N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine is COc1ccc(CNc2ccns2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine?
The InChIKey is DCKGGTHYCUMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-10-4-3-9(11(7-10)16-2)8-13-12-5-6-14-17-12/h3-7,13H,8H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-1,2-thiazol-5-amine has a molecular weight of 250.32 g/mol, XLogP of 2.77, 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]-1,2-thiazol-5-amine is sourced from PubChem (CID 66652908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).