6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H22ClN3O2S — CID 25278725

IUPAC6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(CC[C@@H]1CCCCO1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12
InChIInChI=1S/C20H22ClN3O2S/c1-23(10-9-14-6-4-5-11-26-14)19(25)18-13-27-20-22-17(12-24(18)20)15-7-2-3-8-16(15)21/h2-3,7-8,12-14H,4-6,9-11H2,1H3/t14-/m0/s1
InChIKeyFJCCQAJWDIMOJD-AWEZNQCLSA-N
MW403.94 g/mol
LogP4.75
Rot. Bonds5

About 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 25278725) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID25278725
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(CC[C@@H]1CCCCO1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12
InChIInChI=1S/C20H22ClN3O2S/c1-23(10-9-14-6-4-5-11-26-14)19(25)18-13-27-20-22-17(12-24(18)20)15-7-2-3-8-16(15)21/h2-3,7-8,12-14H,4-6,9-11H2,1H3/t14-/m0/s1
InChIKeyFJCCQAJWDIMOJD-AWEZNQCLSA-N
XLogP4.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chlorophenyl)-N-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 28955168
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CID 42530318
N-methyl-6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 31015741
6-(4-chlorophenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45212982
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42596719
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45195627
6-(4-chlorophenyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26392831
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56723544
6-(2-chlorophenyl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
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6-(2-chlorophenyl)-N-[(2S)-2-(dimethylamino)butyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95195402
N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 25278725) is 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is CN(CC[C@@H]1CCCCO1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12.
What is the InChIKey of 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FJCCQAJWDIMOJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-23(10-9-14-6-4-5-11-26-14)19(25)18-13-27-20-22-17(12-24(18)20)15-7-2-3-8-16(15)21/h2-3,7-8,12-14H,4-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 403.94 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 25278725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).