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

C11H16N4S — CID 106574743

IUPACN-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCCNc1nc(C)cn1C(C)c1nccs1
InChIInChI=1S/C11H16N4S/c1-4-12-11-14-8(2)7-15(11)9(3)10-13-5-6-16-10/h5-7,9H,4H2,1-3H3,(H,12,14)
InChIKeyLPROFGIQCVRALL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.69
Rot. Bonds4

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

N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine (PubChem CID 106574743) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
PubChem CID106574743
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCCNc1nc(C)cn1C(C)c1nccs1
InChIInChI=1S/C11H16N4S/c1-4-12-11-14-8(2)7-15(11)9(3)10-13-5-6-16-10/h5-7,9H,4H2,1-3H3,(H,12,14)
InChIKeyLPROFGIQCVRALL-UHFFFAOYSA-N
XLogP2.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574761
4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574986
N-ethyl-1-[1-(4-methoxyphenyl)ethyl]-4-methylimidazol-2-amine
CID 106576296
1-[4-(dimethylamino)butan-2-yl]-N-ethyl-4-methylimidazol-2-amine
CID 106567736
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106579879
N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66151422
N-ethyl-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581055
1-cyclopentyl-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574988
2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56748638
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79407315
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine (CID 106574743) is N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine is CCNc1nc(C)cn1C(C)c1nccs1.
What is the InChIKey of N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The InChIKey is LPROFGIQCVRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-12-11-14-8(2)7-15(11)9(3)10-13-5-6-16-10/h5-7,9H,4H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106574743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).