2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone

C19H21N5OS — CID 98312687

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c([C@H]2CCCN2C(=O)CC2=CSC3=NCCN23)nc2ccccc21
InChIInChI=1S/C19H21N5OS/c1-22-15-6-3-2-5-14(15)21-18(22)16-7-4-9-24(16)17(25)11-13-12-26-19-20-8-10-23(13)19/h2-3,5-6,12,16H,4,7-11H2,1H3/t16-/m1/s1
InChIKeyWCWWFNFJWVAXMB-MRXNPFEDSA-N
MW367.48 g/mol
LogP2.89
Rot. Bonds3

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 98312687) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID98312687
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1c([C@H]2CCCN2C(=O)CC2=CSC3=NCCN23)nc2ccccc21
InChIInChI=1S/C19H21N5OS/c1-22-15-6-3-2-5-14(15)21-18(22)16-7-4-9-24(16)17(25)11-13-12-26-19-20-8-10-23(13)19/h2-3,5-6,12,16H,4,7-11H2,1H3/t16-/m1/s1
InChIKeyWCWWFNFJWVAXMB-MRXNPFEDSA-N
XLogP2.89
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
CID 125160088
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 99937273
3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56821041
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 90650188
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 126428480
3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 71886897
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51127611
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 98312687) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone is Cn1c([C@H]2CCCN2C(=O)CC2=CSC3=NCCN23)nc2ccccc21.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is WCWWFNFJWVAXMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-22-15-6-3-2-5-14(15)21-18(22)16-7-4-9-24(16)17(25)11-13-12-26-19-20-8-10-23(13)19/h2-3,5-6,12,16H,4,7-11H2,1H3/t16-/m1/s1.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 367.48 g/mol, XLogP of 2.89, 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-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 98312687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).