[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine

C14H18N2OS — CID 82428463

IUPAC[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(Cc2ccc(OC)cc2)sc1CN
InChIInChI=1S/C14H18N2OS/c1-3-12-13(9-15)18-14(16-12)8-10-4-6-11(17-2)7-5-10/h4-7H,3,8-9,15H2,1-2H3
InChIKeyJFMOPLXXZCYAMJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.76
Rot. Bonds5

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

[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82428463) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82428463
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(Cc2ccc(OC)cc2)sc1CN
InChIInChI=1S/C14H18N2OS/c1-3-12-13(9-15)18-14(16-12)8-10-4-6-11(17-2)7-5-10/h4-7H,3,8-9,15H2,1-2H3
InChIKeyJFMOPLXXZCYAMJ-UHFFFAOYSA-N
XLogP2.76
TPSA48.14 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82428468
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
1-[2-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368265
[4-ethyl-2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429771
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
(4,5-diethyl-1,3-thiazol-2-yl)methanamine
CID 105434611
[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099022

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine (CID 82428463) is [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine is CCc1nc(Cc2ccc(OC)cc2)sc1CN.
What is the InChIKey of [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is JFMOPLXXZCYAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-12-13(9-15)18-14(16-12)8-10-4-6-11(17-2)7-5-10/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82428463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).