[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine

C14H18N2OS — CID 3941656

IUPAC[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2csc(CN)n2)cc1C
InChIInChI=1S/C14H18N2OS/c1-4-17-13-6-9(2)11(5-10(13)3)12-8-18-14(7-15)16-12/h5-6,8H,4,7,15H2,1-3H3
InChIKeySKGZKIFYJHRYBT-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.28
Rot. Bonds4

About [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine

[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 3941656) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID3941656
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2csc(CN)n2)cc1C
InChIInChI=1S/C14H18N2OS/c1-4-17-13-6-9(2)11(5-10(13)3)12-8-18-14(7-15)16-12/h5-6,8H,4,7,15H2,1-3H3
InChIKeySKGZKIFYJHRYBT-UHFFFAOYSA-N
XLogP3.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 5039538
[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3891143
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4022868
[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360109
4-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-1,3-thiazole
CID 116970071
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
CID 82295331
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 116964901
5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
CID 82478515

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine (CID 3941656) is [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine is CCOc1cc(C)c(-c2csc(CN)n2)cc1C.
What is the InChIKey of [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is SKGZKIFYJHRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-17-13-6-9(2)11(5-10(13)3)12-8-18-14(7-15)16-12/h5-6,8H,4,7,15H2,1-3H3.
What are the key properties of [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3941656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).