N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine

C14H18N2OS — CID 62543522

IUPACN-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-4-15-9-13-16-14(10(2)18-13)11-5-7-12(17-3)8-6-11/h5-8,15H,4,9H2,1-3H3
InChIKeyWEZHHTXXTXBZQE-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.24
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62543522) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62543522
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-4-15-9-13-16-14(10(2)18-13)11-5-7-12(17-3)8-6-11/h5-8,15H,4,9H2,1-3H3
InChIKeyWEZHHTXXTXBZQE-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543228
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 61336837
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 51105217
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine (CID 62543522) is N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(-c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is WEZHHTXXTXBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-15-9-13-16-14(10(2)18-13)11-5-7-12(17-3)8-6-11/h5-8,15H,4,9H2,1-3H3.
What are the key properties of N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62543522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).