N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine

C14H17N3S2 — CID 43625834

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cn2c(CNC(C)c3cccs3)c(C)nc2s1
InChIInChI=1S/C14H17N3S2/c1-9-8-17-12(10(2)16-14(17)19-9)7-15-11(3)13-5-4-6-18-13/h4-6,8,11,15H,7H2,1-3H3
InChIKeyXMCJPXCLHIWSMJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.92
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43625834) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43625834
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1cn2c(CNC(C)c3cccs3)c(C)nc2s1
InChIInChI=1S/C14H17N3S2/c1-9-8-17-12(10(2)16-14(17)19-9)7-15-11(3)13-5-4-6-18-13/h4-6,8,11,15H,7H2,1-3H3
InChIKeyXMCJPXCLHIWSMJ-UHFFFAOYSA-N
XLogP3.92
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 43770268
(1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398569
(1S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398305
(1R)-1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81374703
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 43625802
1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43625803
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide
CID 106344537
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine
CID 43625914
(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 96500967
(2S,3S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 96500969
2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467972

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine (CID 43625834) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine is Cc1cn2c(CNC(C)c3cccs3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is XMCJPXCLHIWSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-9-8-17-12(10(2)16-14(17)19-9)7-15-11(3)13-5-4-6-18-13/h4-6,8,11,15H,7H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43625834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).