6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C14H17N5S — CID 56780455

IUPAC6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESc1cnn(CC2CCCN2Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H17N5S/c1-3-13(11-19-6-2-4-15-19)17(5-1)9-12-10-18-7-8-20-14(18)16-12/h2,4,6-8,10,13H,1,3,5,9,11H2
InChIKeySNFFPWDJZWYGCU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.26
Rot. Bonds4

About 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 56780455) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID56780455
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESc1cnn(CC2CCCN2Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H17N5S/c1-3-13(11-19-6-2-4-15-19)17(5-1)9-12-10-18-7-8-20-14(18)16-12/h2,4,6-8,10,13H,1,3,5,9,11H2
InChIKeySNFFPWDJZWYGCU-UHFFFAOYSA-N
XLogP2.26
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 56780455) is 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is c1cnn(CC2CCCN2Cc2cn3ccsc3n2)c1.
What is the InChIKey of 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is SNFFPWDJZWYGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-3-13(11-19-6-2-4-15-19)17(5-1)9-12-10-18-7-8-20-14(18)16-12/h2,4,6-8,10,13H,1,3,5,9,11H2.
What are the key properties of 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 287.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 56780455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).