N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine

C11H16N4S — CID 63108574

IUPACN-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2nc(C)cs2)[nH]1
InChIInChI=1S/C11H16N4S/c1-3-12-5-9-6-13-10(15-9)4-11-14-8(2)7-16-11/h6-7,12H,3-5H2,1-2H3,(H,13,15)
InChIKeyMECMDXHOSROKHG-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.87
Rot. Bonds5

About N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine

N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 63108574) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID63108574
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2nc(C)cs2)[nH]1
InChIInChI=1S/C11H16N4S/c1-3-12-5-9-6-13-10(15-9)4-11-14-8(2)7-16-11/h6-7,12H,3-5H2,1-2H3,(H,13,15)
InChIKeyMECMDXHOSROKHG-UHFFFAOYSA-N
XLogP1.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-benzyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63108604
5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-6-thione
CID 106480798
5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479262
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66152219
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62796209
N-methyl-1-(2-propyl-1H-imidazol-5-yl)methanamine
CID 63108982
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
N-[[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107687047
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091931
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine (CID 63108574) is N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(Cc2nc(C)cs2)[nH]1.
What is the InChIKey of N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is MECMDXHOSROKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-12-5-9-6-13-10(15-9)4-11-14-8(2)7-16-11/h6-7,12H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63108574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).