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

C16H18ClN3S — CID 43625803

IUPAC1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1cn2c(CNC(C)c3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C16H18ClN3S/c1-10-9-20-15(12(3)19-16(20)21-10)8-18-11(2)13-6-4-5-7-14(13)17/h4-7,9,11,18H,8H2,1-3H3
InChIKeyWGEOERCCFAVUSO-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.52
Rot. Bonds4

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

1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 43625803) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID43625803
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1cn2c(CNC(C)c3ccccc3Cl)c(C)nc2s1
InChIInChI=1S/C16H18ClN3S/c1-10-9-20-15(12(3)19-16(20)21-10)8-18-11(2)13-6-4-5-7-14(13)17/h4-7,9,11,18H,8H2,1-3H3
InChIKeyWGEOERCCFAVUSO-UHFFFAOYSA-N
XLogP4.52
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81374703
1-(2-chlorophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43767340
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 43625834
2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467972
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
(1S)-1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81378017
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-phenylethanol
CID 43625895
(1S)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81378218
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutanamide
CID 106344537
(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
2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43625869

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 43625803) is 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Cc1cn2c(CNC(C)c3ccccc3Cl)c(C)nc2s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is WGEOERCCFAVUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-10-9-20-15(12(3)19-16(20)21-10)8-18-11(2)13-6-4-5-7-14(13)17/h4-7,9,11,18H,8H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 319.86 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 43625803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).