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

C14H21N3S2 — CID 63752942

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1nc(C)c(C(C)NC(C)c2sc(C)nc2C)s1
InChIInChI=1S/C14H21N3S2/c1-7(13-9(3)16-11(5)18-13)15-8(2)14-10(4)17-12(6)19-14/h7-8,15H,1-6H3
InChIKeyVQEAIJPJXYHIEI-UHFFFAOYSA-N
MW295.48 g/mol
LogP4.25
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 63752942) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID63752942
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1nc(C)c(C(C)NC(C)c2sc(C)nc2C)s1
InChIInChI=1S/C14H21N3S2/c1-7(13-9(3)16-11(5)18-13)15-8(2)14-10(4)17-12(6)19-14/h7-8,15H,1-6H3
InChIKeyVQEAIJPJXYHIEI-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61193660
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 65197277
1-(2,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 61193776
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2-methylbutanoic acid
CID 79391642
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81396845
(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81344838
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721995
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 61193442

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 63752942) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1nc(C)c(C(C)NC(C)c2sc(C)nc2C)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is VQEAIJPJXYHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-7(13-9(3)16-11(5)18-13)15-8(2)14-10(4)17-12(6)19-14/h7-8,15H,1-6H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 295.48 g/mol, XLogP of 4.25, 4 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-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 63752942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).