5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline

C22H26N2OS — CID 71040772

IUPAC5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline
SMILESCCc1c(C)cccc1-c1cnc(-c2ccc(OC(C)C)c(NC)c2)s1
InChIInChI=1S/C22H26N2OS/c1-6-17-15(4)8-7-9-18(17)21-13-24-22(26-21)16-10-11-20(25-14(2)3)19(12-16)23-5/h7-14,23H,6H2,1-5H3
InChIKeyVBRKKMGEZFXPBH-UHFFFAOYSA-N
MW366.53 g/mol
LogP6.18
Rot. Bonds6

About 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline

5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline (PubChem CID 71040772) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline
PubChem CID71040772
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline
SMILESCCc1c(C)cccc1-c1cnc(-c2ccc(OC(C)C)c(NC)c2)s1
InChIInChI=1S/C22H26N2OS/c1-6-17-15(4)8-7-9-18(17)21-13-24-22(26-21)16-10-11-20(25-14(2)3)19(12-16)23-5/h7-14,23H,6H2,1-5H3
InChIKeyVBRKKMGEZFXPBH-UHFFFAOYSA-N
XLogP6.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline?
The IUPAC name of 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline (CID 71040772) is 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline?
The canonical SMILES for 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline is CCc1c(C)cccc1-c1cnc(-c2ccc(OC(C)C)c(NC)c2)s1.
What is the InChIKey of 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline?
The InChIKey is VBRKKMGEZFXPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-6-17-15(4)8-7-9-18(17)21-13-24-22(26-21)16-10-11-20(25-14(2)3)19(12-16)23-5/h7-14,23H,6H2,1-5H3.
What are the key properties of 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline?
5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline has a molecular weight of 366.53 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-ethyl-3-methylphenyl)-1,3-thiazol-2-yl]-N-methyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 71040772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).