[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone

C20H23ClN4OS — CID 42596719

IUPAC[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)[C@@H]1CCN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1
InChIInChI=1S/C20H23ClN4OS/c1-3-23(4-2)14-9-10-24(11-14)19(26)18-13-27-20-22-17(12-25(18)20)15-7-5-6-8-16(15)21/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyGWPOWGUQOPODCX-CQSZACIVSA-N
MW402.95 g/mol
LogP4.27
Rot. Bonds5

About [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone

[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 42596719) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID42596719
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)[C@@H]1CCN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1
InChIInChI=1S/C20H23ClN4OS/c1-3-23(4-2)14-9-10-24(11-14)19(26)18-13-27-20-22-17(12-25(18)20)15-7-5-6-8-16(15)21/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
InChIKeyGWPOWGUQOPODCX-CQSZACIVSA-N
XLogP4.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45195627
chloromethane;2-(2-chlorophenyl)-4-methyl-1,3-thiazole;1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 143281717
4-[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]-1,4-diazepan-2-one
CID 56756835
N-butan-2-yl-6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45217078
6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95195402
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
6-(2-chlorophenyl)-N-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 28955168
6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25278725
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone (CID 42596719) is [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)[C@@H]1CCN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1.
What is the InChIKey of [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is GWPOWGUQOPODCX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-3-23(4-2)14-9-10-24(11-14)19(26)18-13-27-20-22-17(12-25(18)20)15-7-5-6-8-16(15)21/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone?
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 402.95 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42596719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).