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

C15H16N4S — CID 71967970

IUPAC3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCn1ccnc1-c1cccc(NCc2cscn2)c1
InChIInChI=1S/C15H16N4S/c1-2-19-7-6-16-15(19)12-4-3-5-13(8-12)17-9-14-10-20-11-18-14/h3-8,10-11,17H,2,9H2,1H3
InChIKeyDDKNYSJZDFEHQB-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.64
Rot. Bonds5

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

3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 71967970) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID71967970
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCn1ccnc1-c1cccc(NCc2cscn2)c1
InChIInChI=1S/C15H16N4S/c1-2-19-7-6-16-15(19)12-4-3-5-13(8-12)17-9-14-10-20-11-18-14/h3-8,10-11,17H,2,9H2,1H3
InChIKeyDDKNYSJZDFEHQB-UHFFFAOYSA-N
XLogP3.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline (CID 71967970) is 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline is CCn1ccnc1-c1cccc(NCc2cscn2)c1.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is DDKNYSJZDFEHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-19-7-6-16-15(19)12-4-3-5-13(8-12)17-9-14-10-20-11-18-14/h3-8,10-11,17H,2,9H2,1H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 284.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 71967970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).