N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine

C14H16N4S — CID 106718699

IUPACN-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nc3ccccc3s2)cn1
InChIInChI=1S/C14H16N4S/c1-2-15-7-11-8-18(10-16-11)9-14-17-12-5-3-4-6-13(12)19-14/h3-6,8,10,15H,2,7,9H2,1H3
InChIKeyCUGAHHXYXJJVTD-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.65
Rot. Bonds5

About N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 106718699) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID106718699
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC NameN-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nc3ccccc3s2)cn1
InChIInChI=1S/C14H16N4S/c1-2-15-7-11-8-18(10-16-11)9-14-17-12-5-3-4-6-13(12)19-14/h3-6,8,10,15H,2,7,9H2,1H3
InChIKeyCUGAHHXYXJJVTD-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine 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

N-[[1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 104632133
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
N-[[1-(1,3-benzothiazol-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66193350
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718601
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887601
1-(1,3-benzothiazol-2-ylmethyl)pyrrole-3-carbaldehyde
CID 104631548
1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718437
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine (CID 106718699) is N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2nc3ccccc3s2)cn1.
What is the InChIKey of N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is CUGAHHXYXJJVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-15-7-11-8-18(10-16-11)9-14-17-12-5-3-4-6-13(12)19-14/h3-6,8,10,15H,2,7,9H2,1H3.
What are the key properties of N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 272.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).