[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone

C17H17N3OS — CID 42271654

IUPAC[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1
InChIInChI=1S/C17H17N3OS/c1-12-4-6-13(7-5-12)14-10-20-15(11-22-17(20)18-14)16(21)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyMBFUZAWNHJZVDO-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.61
Rot. Bonds2

About [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone

[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42271654) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID42271654
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1
InChIInChI=1S/C17H17N3OS/c1-12-4-6-13(7-5-12)14-10-20-15(11-22-17(20)18-14)16(21)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyMBFUZAWNHJZVDO-UHFFFAOYSA-N
XLogP3.61
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 25287122
(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 29356769
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 42290467
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270014
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 42197445
N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
CID 50839394

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone (CID 42271654) is [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1.
What is the InChIKey of [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MBFUZAWNHJZVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-4-6-13(7-5-12)14-10-20-15(11-22-17(20)18-14)16(21)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone?
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42271654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).