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

C14H18N2O2S — CID 60672836

IUPACN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C14H18N2O2S/c1-4-15-8-10-9-19-14(16-10)11-6-5-7-12(17-2)13(11)18-3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyGNBAXQPQMPMTCS-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.94
Rot. Bonds6

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

N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 60672836) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID60672836
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C14H18N2O2S/c1-4-15-8-10-9-19-14(16-10)11-6-5-7-12(17-2)13(11)18-3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyGNBAXQPQMPMTCS-UHFFFAOYSA-N
XLogP2.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 45492200
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 112796571
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7670150
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
2-(2,3-dimethoxyphenyl)-4-(naphthalen-2-ylsulfanylmethyl)-1,3-thiazole
CID 7403150
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79976896

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 60672836) is N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is GNBAXQPQMPMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-15-8-10-9-19-14(16-10)11-6-5-7-12(17-2)13(11)18-3/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 60672836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).