[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C19H21ClN4OS — CID 45212751

IUPAC[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC(NCc1c(C(=O)N2CCCC2)nc2sccn12)c1ccccc1Cl
InChIInChI=1S/C19H21ClN4OS/c1-13(14-6-2-3-7-15(14)20)21-12-16-17(18(25)23-8-4-5-9-23)22-19-24(16)10-11-26-19/h2-3,6-7,10-11,13,21H,4-5,8-9,12H2,1H3
InChIKeyWRAOXMNVRHQLKW-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.14
Rot. Bonds5

About [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45212751) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID45212751
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC(NCc1c(C(=O)N2CCCC2)nc2sccn12)c1ccccc1Cl
InChIInChI=1S/C19H21ClN4OS/c1-13(14-6-2-3-7-15(14)20)21-12-16-17(18(25)23-8-4-5-9-23)22-19-24(16)10-11-26-19/h2-3,6-7,10-11,13,21H,4-5,8-9,12H2,1H3
InChIKeyWRAOXMNVRHQLKW-UHFFFAOYSA-N
XLogP4.14
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 42196675
1-(2-chlorophenyl)-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 24594113
piperidin-1-yl-[5-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42515139
pyrrolidin-1-yl-[5-[[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 29087709
[5-[[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 45214817
[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45178972
[5-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 31016740
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45176633
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
pyrrolidin-1-yl-[5-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31054593
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014

Frequently Asked Questions

What is the IUPAC name of [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 45212751) is [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is CC(NCc1c(C(=O)N2CCCC2)nc2sccn12)c1ccccc1Cl.
What is the InChIKey of [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WRAOXMNVRHQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-13(14-6-2-3-7-15(14)20)21-12-16-17(18(25)23-8-4-5-9-23)22-19-24(16)10-11-26-19/h2-3,6-7,10-11,13,21H,4-5,8-9,12H2,1H3.
What are the key properties of [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 388.92 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45212751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).