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

C16H18ClN3S — CID 81362064

IUPAC(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2scc(C)n2c1CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3S/c1-10-9-21-16-19-12(3)15(20(10)16)8-18-11(2)13-5-4-6-14(17)7-13/h4-7,9,11,18H,8H2,1-3H3/t11-/m0/s1
InChIKeyIABUFOHSCVADNG-NSHDSACASA-N
MW319.86 g/mol
LogP4.52
Rot. Bonds4

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

(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 81362064) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID81362064
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2scc(C)n2c1CN[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3S/c1-10-9-21-16-19-12(3)15(20(10)16)8-18-11(2)13-5-4-6-14(17)7-13/h4-7,9,11,18H,8H2,1-3H3/t11-/m0/s1
InChIKeyIABUFOHSCVADNG-NSHDSACASA-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

(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369959
(1R)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401969
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281929
2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43763042
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
7-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92828595
7-[[1-(3-fluorophenyl)ethylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47005785
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-2-amine
CID 43791067
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-iodoaniline
CID 43773323

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 81362064) is (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Cc1nc2scc(C)n2c1CN[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is IABUFOHSCVADNG-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-10-9-21-16-19-12(3)15(20(10)16)8-18-11(2)13-5-4-6-14(17)7-13/h4-7,9,11,18H,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[(3,6-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 (1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81362064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).