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

C16H18N4S — CID 63751765

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline
SMILESCc1nc(C)c(C(C)Nc2ccccc2-n2ccnc2)s1
InChIInChI=1S/C16H18N4S/c1-11-16(21-13(3)18-11)12(2)19-14-6-4-5-7-15(14)20-9-8-17-10-20/h4-10,12,19H,1-3H3
InChIKeyHDKGOZKBDGKUGM-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.12
Rot. Bonds4

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline (PubChem CID 63751765) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline
PubChem CID63751765
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline
SMILESCc1nc(C)c(C(C)Nc2ccccc2-n2ccnc2)s1
InChIInChI=1S/C16H18N4S/c1-11-16(21-13(3)18-11)12(2)19-14-6-4-5-7-15(14)20-9-8-17-10-20/h4-10,12,19H,1-3H3
InChIKeyHDKGOZKBDGKUGM-UHFFFAOYSA-N
XLogP4.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline (CID 63751765) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline is Cc1nc(C)c(C(C)Nc2ccccc2-n2ccnc2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline?
The InChIKey is HDKGOZKBDGKUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-16(21-13(3)18-11)12(2)19-14-6-4-5-7-15(14)20-9-8-17-10-20/h4-10,12,19H,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline has a molecular weight of 298.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylaniline is sourced from PubChem (CID 63751765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).