2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

C16H18ClN3S — CID 115334428

IUPAC2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESCCNCC(Cc1cn2ccsc2n1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3S/c1-2-18-10-12(14-5-3-4-6-15(14)17)9-13-11-20-7-8-21-16(20)19-13/h3-8,11-12,18H,2,9-10H2,1H3
InChIKeyDSIVQCYOPACDKH-UHFFFAOYSA-N
MW319.86 g/mol
LogP3.98
Rot. Bonds6

About 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (PubChem CID 115334428) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
PubChem CID115334428
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESCCNCC(Cc1cn2ccsc2n1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3S/c1-2-18-10-12(14-5-3-4-6-15(14)17)9-13-11-20-7-8-21-16(20)19-13/h3-8,11-12,18H,2,9-10H2,1H3
InChIKeyDSIVQCYOPACDKH-UHFFFAOYSA-N
XLogP3.98
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334415
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
CID 105023630
2-(2-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334426
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
1-(2,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023602
2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
CID 115334298
1-(2-chloro-6-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 115333619

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (CID 115334428) is 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is CCNCC(Cc1cn2ccsc2n1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The InChIKey is DSIVQCYOPACDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-2-18-10-12(14-5-3-4-6-15(14)17)9-13-11-20-7-8-21-16(20)19-13/h3-8,11-12,18H,2,9-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine has a molecular weight of 319.86 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is sourced from PubChem (CID 115334428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).