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

C17H21N3S — CID 81369959

IUPAC(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2c(C)nc3scc(C)n23)c1
InChIInChI=1S/C17H21N3S/c1-11-6-5-7-15(8-11)13(3)18-9-16-14(4)19-17-20(16)12(2)10-21-17/h5-8,10,13,18H,9H2,1-4H3/t13-/m0/s1
InChIKeyJCRMVJPCFXNJPD-ZDUSSCGKSA-N
MW299.44 g/mol
LogP4.17
Rot. Bonds4

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

(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81369959) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81369959
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2c(C)nc3scc(C)n23)c1
InChIInChI=1S/C17H21N3S/c1-11-6-5-7-15(8-11)13(3)18-9-16-14(4)19-17-20(16)12(2)10-21-17/h5-8,10,13,18H,9H2,1-4H3/t13-/m0/s1
InChIKeyJCRMVJPCFXNJPD-ZDUSSCGKSA-N
XLogP4.17
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81362064
(1R)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401969
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281929
7-[[1-(3-fluorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47005785
(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81388364
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine
CID 43791067
(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369770
2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43763042
5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
CID 60976809
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-7-methyloctan-1-amine
CID 43771297

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 81369959) is (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NCc2c(C)nc3scc(C)n23)c1.
What is the InChIKey of (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is JCRMVJPCFXNJPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3S/c1-11-6-5-7-15(8-11)13(3)18-9-16-14(4)19-17-20(16)12(2)10-21-17/h5-8,10,13,18H,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81369959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).