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

C14H18N2OS — CID 5039538

IUPAC[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOc1c(C)cc(C)cc1-c1csc(CN)n1
InChIInChI=1S/C14H18N2OS/c1-4-17-14-10(3)5-9(2)6-11(14)12-8-18-13(7-15)16-12/h5-6,8H,4,7,15H2,1-3H3
InChIKeyDEDYOVZXXVHVIX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.28
Rot. Bonds4

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

[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 5039538) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID5039538
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOc1c(C)cc(C)cc1-c1csc(CN)n1
InChIInChI=1S/C14H18N2OS/c1-4-17-14-10(3)5-9(2)6-11(14)12-8-18-13(7-15)16-12/h5-6,8H,4,7,15H2,1-3H3
InChIKeyDEDYOVZXXVHVIX-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

[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
[4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3891143
4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 20983664
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
1-[4-(2-ethoxy-5-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3945437
2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3910621
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
1-[4-(2-ethoxy-5-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]ethanamine
CID 4558718
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 116964901

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine (CID 5039538) is [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine is CCOc1c(C)cc(C)cc1-c1csc(CN)n1.
What is the InChIKey of [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is DEDYOVZXXVHVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-17-14-10(3)5-9(2)6-11(14)12-8-18-13(7-15)16-12/h5-6,8H,4,7,15H2,1-3H3.
What are the key properties of [4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine?
[4-(2-ethoxy-3,5-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-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 5039538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).