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

C16H22N2OS — CID 63753114

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C16H22N2OS/c1-5-10-19-15-8-6-14(7-9-15)18-12(3)16-11(2)17-13(4)20-16/h6-9,12,18H,5,10H2,1-4H3
InChIKeyVKCBNUYOBZDRGX-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.72
Rot. Bonds6

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline (PubChem CID 63753114) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline
PubChem CID63753114
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C16H22N2OS/c1-5-10-19-15-8-6-14(7-9-15)18-12(3)16-11(2)17-13(4)20-16/h6-9,12,18H,5,10H2,1-4H3
InChIKeyVKCBNUYOBZDRGX-UHFFFAOYSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 61059460
N-propan-2-yl-4-propoxyaniline
CID 21311809
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
N-butan-2-yl-4-propoxyaniline
CID 21311789
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 63750612
N-[1-(4-bromothiophen-2-yl)ethyl]-4-propoxyaniline
CID 107354355
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
CID 62327278
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
CID 55162820
N-hexan-2-yl-4-propoxyaniline
CID 21311820
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline (CID 63753114) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline is CCCOc1ccc(NC(C)c2sc(C)nc2C)cc1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline?
The InChIKey is VKCBNUYOBZDRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-10-19-15-8-6-14(7-9-15)18-12(3)16-11(2)17-13(4)20-16/h6-9,12,18H,5,10H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline has a molecular weight of 290.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline is sourced from PubChem (CID 63753114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).