N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline

C15H20N2S — CID 54861913

IUPACN-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCCC(CC)CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H20N2S/c1-3-12(4-2)11-17-14-7-5-13(6-8-14)15-16-9-10-18-15/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyDNWWGVRNEXWFCB-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.66
Rot. Bonds6

About N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline

N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 54861913) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID54861913
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCCC(CC)CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H20N2S/c1-3-12(4-2)11-17-14-7-5-13(6-8-14)15-16-9-10-18-15/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyDNWWGVRNEXWFCB-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline (CID 54861913) is N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline is CCC(CC)CNc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is DNWWGVRNEXWFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-12(4-2)11-17-14-7-5-13(6-8-14)15-16-9-10-18-15/h5-10,12,17H,3-4,11H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline?
N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 260.41 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 54861913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).