2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone

C16H21N5OS — CID 98371643

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCn1ccnc1[C@H]1CCCN(C(=O)CC2=CSC3=NCCN23)C1
InChIInChI=1S/C16H21N5OS/c1-19-7-4-17-15(19)12-3-2-6-20(10-12)14(22)9-13-11-23-16-18-5-8-21(13)16/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyMWQYJAZMMJXGLD-LBPRGKRZSA-N
MW331.45 g/mol
LogP1.78
Rot. Bonds3

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 98371643) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID98371643
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCn1ccnc1[C@H]1CCCN(C(=O)CC2=CSC3=NCCN23)C1
InChIInChI=1S/C16H21N5OS/c1-19-7-4-17-15(19)12-3-2-6-20(10-12)14(22)9-13-11-23-16-18-5-8-21(13)16/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyMWQYJAZMMJXGLD-LBPRGKRZSA-N
XLogP1.78
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70726668
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 99993809
2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70747806
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(3-methylsulfanylphenyl)ethanone
CID 96577965
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196
2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96575262
2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
CID 72884097
1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125162266
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
CID 96576484

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone (CID 98371643) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone is Cn1ccnc1[C@H]1CCCN(C(=O)CC2=CSC3=NCCN23)C1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is MWQYJAZMMJXGLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-19-7-4-17-15(19)12-3-2-6-20(10-12)14(22)9-13-11-23-16-18-5-8-21(13)16/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 331.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 98371643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).