N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine

C12H18N4S — CID 62138789

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H18N4S/c1-5-16-7-6-13-12(16)15-9(3)11-8(2)14-10(4)17-11/h6-7,9H,5H2,1-4H3,(H,13,15)
InChIKeyIOPKEWRMPRIJLZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine (PubChem CID 62138789) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine
PubChem CID62138789
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NC(C)c1sc(C)nc1C
InChIInChI=1S/C12H18N4S/c1-5-16-7-6-13-12(16)15-9(3)11-8(2)14-10(4)17-11/h6-7,9H,5H2,1-4H3,(H,13,15)
InChIKeyIOPKEWRMPRIJLZ-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazol-2-amine
CID 106566619
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939708
1-ethyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 62842596
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62961184
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
CID 113286044
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63750927
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
CID 55162820
8-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80807926
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80807513

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine (CID 62138789) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine is CCn1ccnc1NC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine?
The InChIKey is IOPKEWRMPRIJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-5-16-7-6-13-12(16)15-9(3)11-8(2)14-10(4)17-11/h6-7,9H,5H2,1-4H3,(H,13,15).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 62138789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).