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

C14H18N2OS — CID 65472526

IUPAC[4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
SMILESCCc1csc(Oc2c(C)cc(CN)cc2C)n1
InChIInChI=1S/C14H18N2OS/c1-4-12-8-18-14(16-12)17-13-9(2)5-11(7-15)6-10(13)3/h5-6,8H,4,7,15H2,1-3H3
InChIKeyRSYCIQVTJXVCEI-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.57
Rot. Bonds4

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

[4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine (PubChem CID 65472526) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
PubChem CID65472526
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
SMILESCCc1csc(Oc2c(C)cc(CN)cc2C)n1
InChIInChI=1S/C14H18N2OS/c1-4-12-8-18-14(16-12)17-13-9(2)5-11(7-15)6-10(13)3/h5-6,8H,4,7,15H2,1-3H3
InChIKeyRSYCIQVTJXVCEI-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine (CID 65472526) is [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine is CCc1csc(Oc2c(C)cc(CN)cc2C)n1.
What is the InChIKey of [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
The InChIKey is RSYCIQVTJXVCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-12-8-18-14(16-12)17-13-9(2)5-11(7-15)6-10(13)3/h5-6,8H,4,7,15H2,1-3H3.
What are the key properties of [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
[4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 65472526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).