1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C12H18N4S — CID 63967719

IUPAC1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCn1ccnc1C(Cc1csc(C)n1)NC
InChIInChI=1S/C12H18N4S/c1-4-16-6-5-14-12(16)11(13-3)7-10-8-17-9(2)15-10/h5-6,8,11,13H,4,7H2,1-3H3
InChIKeyMTYJFKPYZAKHSN-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.17
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 63967719) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID63967719
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCn1ccnc1C(Cc1csc(C)n1)NC
InChIInChI=1S/C12H18N4S/c1-4-16-6-5-14-12(16)11(13-3)7-10-8-17-9(2)15-10/h5-6,8,11,13H,4,7H2,1-3H3
InChIKeyMTYJFKPYZAKHSN-UHFFFAOYSA-N
XLogP2.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63968142
N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199087
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105159022
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106848941
N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
CID 79087528
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-5-ylethanamine
CID 81232102
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
CID 107357241
1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976284
1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106692348
2-(1-ethylimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105165882

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 63967719) is 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCn1ccnc1C(Cc1csc(C)n1)NC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is MTYJFKPYZAKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-16-6-5-14-12(16)11(13-3)7-10-8-17-9(2)15-10/h5-6,8,11,13H,4,7H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63967719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).