2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline

C15H20N2OS — CID 82152374

IUPAC2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
SMILESCCCCOc1ccc(-c2nc(C)c(C)s2)cc1N
InChIInChI=1S/C15H20N2OS/c1-4-5-8-18-14-7-6-12(9-13(14)16)15-17-10(2)11(3)19-15/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyXXQMKMZIYJCBEG-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.19
Rot. Bonds5

About 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline

2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline (PubChem CID 82152374) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
PubChem CID82152374
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
SMILESCCCCOc1ccc(-c2nc(C)c(C)s2)cc1N
InChIInChI=1S/C15H20N2OS/c1-4-5-8-18-14-7-6-12(9-13(14)16)15-17-10(2)11(3)19-15/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyXXQMKMZIYJCBEG-UHFFFAOYSA-N
XLogP4.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline
CID 82152376
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
2-butoxy-5-phenylaniline
CID 54853554
2-(3-bromo-4-butoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990459
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
CID 82057785
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
3-(3-butoxy-4-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
CID 112539221
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427260
5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 82160764
[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775314
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline (CID 82152374) is 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline is CCCCOc1ccc(-c2nc(C)c(C)s2)cc1N.
What is the InChIKey of 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
The InChIKey is XXQMKMZIYJCBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-5-8-18-14-7-6-12(9-13(14)16)15-17-10(2)11(3)19-15/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline?
2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline has a molecular weight of 276.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 82152374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).