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

C13H20N4S — CID 63750927

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCc1nc(C)c(C(C)NCCc2nccn2C)s1
InChIInChI=1S/C13H20N4S/c1-9(13-10(2)16-11(3)18-13)14-6-5-12-15-7-8-17(12)4/h7-9,14H,5-6H2,1-4H3
InChIKeyYYZBCZZORTXBCS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.39
Rot. Bonds5

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (PubChem CID 63750927) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
PubChem CID63750927
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCc1nc(C)c(C(C)NCCc2nccn2C)s1
InChIInChI=1S/C13H20N4S/c1-9(13-10(2)16-11(3)18-13)14-6-5-12-15-7-8-17(12)4/h7-9,14H,5-6H2,1-4H3
InChIKeyYYZBCZZORTXBCS-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63025897
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81345295
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethylimidazol-2-amine
CID 62138789
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78921673
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 104531118
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706659
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
N-[2-(2-aminoethoxy)ethyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 79479475
1-(2,5-dichlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214271

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (CID 63750927) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is Cc1nc(C)c(C(C)NCCc2nccn2C)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The InChIKey is YYZBCZZORTXBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-9(13-10(2)16-11(3)18-13)14-6-5-12-15-7-8-17(12)4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63750927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).