N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine

C12H18N4S — CID 66152219

IUPACN-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CCc1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-3-13-6-11-7-14-9-16(11)5-4-12-15-10(2)8-17-12/h7-9,13H,3-6H2,1-2H3
InChIKeyFIFXNIJTMTUGKE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.00
Rot. Bonds6

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

N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 66152219) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
PubChem CID66152219
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CCc1nc(C)cs1
InChIInChI=1S/C12H18N4S/c1-3-13-6-11-7-14-9-16(11)5-4-12-15-10(2)8-17-12/h7-9,13H,3-6H2,1-2H3
InChIKeyFIFXNIJTMTUGKE-UHFFFAOYSA-N
XLogP2.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131187
1-(3-methylimidazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62998460
(1R)-1-[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104943036
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149261
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66139811
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
N-[[3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 66151607
[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720232
N,4-dimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571785
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine (CID 66152219) is N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1CCc1nc(C)cs1.
What is the InChIKey of N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is FIFXNIJTMTUGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-13-6-11-7-14-9-16(11)5-4-12-15-10(2)8-17-12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66152219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).