2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

C13H15N3S2 — CID 115333927

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1cscc1C
InChIInChI=1S/C13H15N3S2/c1-9-7-17-8-11(9)12(14-2)5-10-6-16-3-4-18-13(16)15-10/h3-4,6-8,12,14H,5H2,1-2H3
InChIKeyHZTJEQKDRCPJLL-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.27
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 115333927) has the molecular formula C13H15N3S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID115333927
Molecular FormulaC13H15N3S2
Molecular Weight277.42 g/mol
Exact Mass277.07
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1cscc1C
InChIInChI=1S/C13H15N3S2/c1-9-7-17-8-11(9)12(14-2)5-10-6-16-3-4-18-13(16)15-10/h3-4,6-8,12,14H,5H2,1-2H3
InChIKeyHZTJEQKDRCPJLL-UHFFFAOYSA-N
XLogP3.27
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251703
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105023446
1-(1,5-dimethylpyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174084
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333502
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113289240
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023486
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105174090
1-(4-ethylthiadiazol-5-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174064
1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 107946541
3-imidazo[2,1-b][1,3]thiazol-6-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 115333859

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (CID 115333927) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine is CNC(Cc1cn2ccsc2n1)c1cscc1C.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is HZTJEQKDRCPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S2/c1-9-7-17-8-11(9)12(14-2)5-10-6-16-3-4-18-13(16)15-10/h3-4,6-8,12,14H,5H2,1-2H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine has a molecular weight of 277.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 115333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).