3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline

C17H24N2OS — CID 63753113

IUPAC3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCCC(C)Oc1cccc(NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C17H24N2OS/c1-6-11(2)20-16-9-7-8-15(10-16)19-13(4)17-12(3)18-14(5)21-17/h7-11,13,19H,6H2,1-5H3
InChIKeyCFNKJFQDFNRDHU-UHFFFAOYSA-N
MW304.46 g/mol
LogP5.11
Rot. Bonds6

About 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline

3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 63753113) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID63753113
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCCC(C)Oc1cccc(NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C17H24N2OS/c1-6-11(2)20-16-9-7-8-15(10-16)19-13(4)17-12(3)18-14(5)21-17/h7-11,13,19H,6H2,1-5H3
InChIKeyCFNKJFQDFNRDHU-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114
3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
CID 65197181
3-butan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
CID 55060246
3-butan-2-yloxy-N-[1-(3-chlorophenyl)ethyl]aniline
CID 63476598
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline
CID 63753114
3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751888
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
3-[(2S)-butan-2-yl]oxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 129367586
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline
CID 82857898
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
CID 63753119
methyl 3-(3-butan-2-yloxyanilino)-2-methylbutanoate
CID 79398224

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (CID 63753113) is 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is CCC(C)Oc1cccc(NC(C)c2sc(C)nc2C)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is CFNKJFQDFNRDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-6-11(2)20-16-9-7-8-15(10-16)19-13(4)17-12(3)18-14(5)21-17/h7-11,13,19H,6H2,1-5H3.
What are the key properties of 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 304.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 63753113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).