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

C16H19N5OS — CID 39808970

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(C)c1n[nH]c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C16H19N5OS/c1-10(2)15-12-9-20(4-3-13(12)18-19-15)14(22)7-11-8-21-5-6-23-16(21)17-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyHVMMMHZWILMZKO-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.37
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propan-2-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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 39808970) 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-(3-propan-2-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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID39808970
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(C)c1n[nH]c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C16H19N5OS/c1-10(2)15-12-9-20(4-3-13(12)18-19-15)14(22)7-11-8-21-5-6-23-16(21)17-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyHVMMMHZWILMZKO-UHFFFAOYSA-N
XLogP2.37
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.37
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-propan-2-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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 39808970) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propan-2-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-propan-2-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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CC(C)c1n[nH]c2c1CN(C(=O)Cc1cn3ccsc3n1)CC2.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is HVMMMHZWILMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10(2)15-12-9-20(4-3-13(12)18-19-15)14(22)7-11-8-21-5-6-23-16(21)17-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propan-2-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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 329.43 g/mol, XLogP of 2.37, 3 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-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 39808970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).