2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C18H23N5OS — CID 31017003

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCCC(CC)c1n[nH]c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C18H23N5OS/c1-3-12(4-2)17-14-11-22(6-5-15(14)20-21-17)16(24)9-13-10-23-7-8-25-18(23)19-13/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,21)
InChIKeyUBIBQBBHVKXARK-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.15
Rot. Bonds5

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 31017003) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID31017003
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCCC(CC)c1n[nH]c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C18H23N5OS/c1-3-12(4-2)17-14-11-22(6-5-15(14)20-21-17)16(24)9-13-10-23-7-8-25-18(23)19-13/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,21)
InChIKeyUBIBQBBHVKXARK-UHFFFAOYSA-N
XLogP3.15
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 31017003) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CCC(CC)c1n[nH]c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is UBIBQBBHVKXARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-3-12(4-2)17-14-11-22(6-5-15(14)20-21-17)16(24)9-13-10-23-7-8-25-18(23)19-13/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,20,21).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 357.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-pentan-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 31017003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).