5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline

C19H20N2OS — CID 82152278

IUPAC5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
SMILESCCCOc1ccc(-c2nc(-c3ccccc3)c(C)s2)cc1N
InChIInChI=1S/C19H20N2OS/c1-3-11-22-17-10-9-15(12-16(17)20)19-21-18(13(2)23-19)14-7-5-4-6-8-14/h4-10,12H,3,11,20H2,1-2H3
InChIKeyDIEWZNZLXSVVEZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.16
Rot. Bonds5

About 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline

5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline (PubChem CID 82152278) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline.

Molecular Properties

Compound Name5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
PubChem CID82152278
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
SMILESCCCOc1ccc(-c2nc(-c3ccccc3)c(C)s2)cc1N
InChIInChI=1S/C19H20N2OS/c1-3-11-22-17-10-9-15(12-16(17)20)19-21-18(13(2)23-19)14-7-5-4-6-8-14/h4-10,12H,3,11,20H2,1-2H3
InChIKeyDIEWZNZLXSVVEZ-UHFFFAOYSA-N
XLogP5.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 82152374
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
2-butoxy-5-phenylaniline
CID 54853554
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 60707088
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline
CID 82152376
4-(3-amino-4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82225738
4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907890
2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine
CID 129286646
5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole
CID 59871677

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline?
The IUPAC name of 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline (CID 82152278) is 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline.
What is the SMILES notation for 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline?
The canonical SMILES for 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline is CCCOc1ccc(-c2nc(-c3ccccc3)c(C)s2)cc1N.
What is the InChIKey of 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline?
The InChIKey is DIEWZNZLXSVVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-11-22-17-10-9-15(12-16(17)20)19-21-18(13(2)23-19)14-7-5-4-6-8-14/h4-10,12H,3,11,20H2,1-2H3.
What are the key properties of 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline?
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline has a molecular weight of 324.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline is sourced from PubChem (CID 82152278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).