1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine

C16H18ClN3S — CID 43779699

IUPAC1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
SMILESCc1nc2sccn2c1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN3S/c1-11(9-13-5-3-4-6-14(13)17)18-10-15-12(2)19-16-20(15)7-8-21-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFURGPFMEMFPIIU-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine

1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine (PubChem CID 43779699) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
PubChem CID43779699
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
SMILESCc1nc2sccn2c1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClN3S/c1-11(9-13-5-3-4-6-14(13)17)18-10-15-12(2)19-16-20(15)7-8-21-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFURGPFMEMFPIIU-UHFFFAOYSA-N
XLogP4.08
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
CID 113376077
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60913625
(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
CID 104922935
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
CID 43782424
1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 65047805
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81367471
2-(methoxymethyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43779784
1-(2-chlorophenyl)-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 24594113
4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol
CID 61245388

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine (CID 43779699) is 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine is Cc1nc2sccn2c1CNC(C)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is FURGPFMEMFPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-11(9-13-5-3-4-6-14(13)17)18-10-15-12(2)19-16-20(15)7-8-21-16/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine?
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 319.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 43779699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).