2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

C16H19N5OS — CID 56780198

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCN2C(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H19N5OS/c1-12-8-17-20(9-12)11-14-3-2-4-21(14)15(22)7-13-10-19-5-6-23-16(19)18-13/h5-6,8-10,14H,2-4,7,11H2,1H3
InChIKeySULIRSRVKPGFAH-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.13
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 56780198) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID56780198
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCN2C(=O)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H19N5OS/c1-12-8-17-20(9-12)11-14-3-2-4-21(14)15(22)7-13-10-19-5-6-23-16(19)18-13/h5-6,8-10,14H,2-4,7,11H2,1H3
InChIKeySULIRSRVKPGFAH-UHFFFAOYSA-N
XLogP2.13
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone (CID 56780198) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is Cc1cnn(CC2CCCN2C(=O)Cc2cn3ccsc3n2)c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is SULIRSRVKPGFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-12-8-17-20(9-12)11-14-3-2-4-21(14)15(22)7-13-10-19-5-6-23-16(19)18-13/h5-6,8-10,14H,2-4,7,11H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 329.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56780198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).