5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline

C14H16N2OS — CID 82152376

IUPAC5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(-c2nc(C)c(C)s2)cc1N
InChIInChI=1S/C14H16N2OS/c1-4-7-17-13-6-5-11(8-12(13)15)14-16-9(2)10(3)18-14/h4-6,8H,1,7,15H2,2-3H3
InChIKeyLJFSISFAHFAJOE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.57
Rot. Bonds4

About 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline

5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline (PubChem CID 82152376) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline.

Molecular Properties

Compound Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline
PubChem CID82152376
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(-c2nc(C)c(C)s2)cc1N
InChIInChI=1S/C14H16N2OS/c1-4-7-17-13-6-5-11(8-12(13)15)14-16-9(2)10(3)18-14/h4-6,8H,1,7,15H2,2-3H3
InChIKeyLJFSISFAHFAJOE-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 ≤ 500260.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
CID 82152301
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylaniline
CID 134455817
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 58992623
5-(1,3-benzothiazol-2-yl)-2-(methoxymethoxy)aniline
CID 71567260
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 71990172
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 116887615
5-phenoxy-2-prop-2-enoxyaniline
CID 10847689

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline?
The IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline (CID 82152376) is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline.
What is the SMILES notation for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline?
The canonical SMILES for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline is C=CCOc1ccc(-c2nc(C)c(C)s2)cc1N.
What is the InChIKey of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline?
The InChIKey is LJFSISFAHFAJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-7-17-13-6-5-11(8-12(13)15)14-16-9(2)10(3)18-14/h4-6,8H,1,7,15H2,2-3H3.
What are the key properties of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline?
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline has a molecular weight of 260.36 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 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline is sourced from PubChem (CID 82152376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).