[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

C19H20ClN3O2S — CID 42197445

IUPAC[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2csc3nc(-c4ccc(Cl)cc4)cn23)C1
InChIInChI=1S/C19H20ClN3O2S/c1-25-11-13-3-2-8-22(9-13)18(24)17-12-26-19-21-16(10-23(17)19)14-4-6-15(20)7-5-14/h4-7,10,12-13H,2-3,8-9,11H2,1H3/t13-/m0/s1
InChIKeyCBVIKZKVPNKBOA-ZDUSSCGKSA-N
MW389.91 g/mol
LogP4.21
Rot. Bonds4

About [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 42197445) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID42197445
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2csc3nc(-c4ccc(Cl)cc4)cn23)C1
InChIInChI=1S/C19H20ClN3O2S/c1-25-11-13-3-2-8-22(9-13)18(24)17-12-26-19-21-16(10-23(17)19)14-4-6-15(20)7-5-14/h4-7,10,12-13H,2-3,8-9,11H2,1H3/t13-/m0/s1
InChIKeyCBVIKZKVPNKBOA-ZDUSSCGKSA-N
XLogP4.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 45172039
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 42290467
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 7301539
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 45192074
2-cyclopentyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839435
(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103187237

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 42197445) is [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is COC[C@H]1CCCN(C(=O)c2csc3nc(-c4ccc(Cl)cc4)cn23)C1.
What is the InChIKey of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is CBVIKZKVPNKBOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-25-11-13-3-2-8-22(9-13)18(24)17-12-26-19-21-16(10-23(17)19)14-4-6-15(20)7-5-14/h4-7,10,12-13H,2-3,8-9,11H2,1H3/t13-/m0/s1.
What are the key properties of [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 389.91 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42197445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).