2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone

C16H18N4OS2 — CID 138022062

IUPAC2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCc1cn2cc(CC(=O)N3CCC(Cc4nccs4)C3)nc2s1
InChIInChI=1S/C16H18N4OS2/c1-11-8-20-10-13(18-16(20)23-11)7-15(21)19-4-2-12(9-19)6-14-17-3-5-22-14/h3,5,8,10,12H,2,4,6-7,9H2,1H3
InChIKeyCADYNZUKSWDJMY-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.79
Rot. Bonds4

About 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 138022062) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID138022062
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCc1cn2cc(CC(=O)N3CCC(Cc4nccs4)C3)nc2s1
InChIInChI=1S/C16H18N4OS2/c1-11-8-20-10-13(18-16(20)23-11)7-15(21)19-4-2-12(9-19)6-14-17-3-5-22-14/h3,5,8,10,12H,2,4,6-7,9H2,1H3
InChIKeyCADYNZUKSWDJMY-UHFFFAOYSA-N
XLogP2.79
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 136567724
3-methoxy-1-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256066
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110270918
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845437
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
(4-chlorophenyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125016946
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
formic acid;2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 171324865
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95289056
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone (CID 138022062) is 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone is Cc1cn2cc(CC(=O)N3CCC(Cc4nccs4)C3)nc2s1.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is CADYNZUKSWDJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11-8-20-10-13(18-16(20)23-11)7-15(21)19-4-2-12(9-19)6-14-17-3-5-22-14/h3,5,8,10,12H,2,4,6-7,9H2,1H3.
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 346.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 138022062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).