N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine

C11H16N4S — CID 66151607

IUPACN-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1Cc1scnc1C
InChIInChI=1S/C11H16N4S/c1-3-12-4-10-5-13-7-15(10)6-11-9(2)14-8-16-11/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyFBPQQSTTWJIVID-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.81
Rot. Bonds5

About N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine

N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 66151607) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID66151607
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1Cc1scnc1C
InChIInChI=1S/C11H16N4S/c1-3-12-4-10-5-13-7-15(10)6-11-9(2)14-8-16-11/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyFBPQQSTTWJIVID-UHFFFAOYSA-N
XLogP1.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66152219
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378
5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole
CID 130892014
1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 66444807
N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
CID 104766869
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 63837144
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891
N-[[1-[(3-ethylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66153964

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 66151607) is N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1Cc1scnc1C.
What is the InChIKey of N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is FBPQQSTTWJIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-12-4-10-5-13-7-15(10)6-11-9(2)14-8-16-11/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66151607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).