2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

C17H20N6O2S — CID 70738538

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)Cc3cn4ccsc4n3)C2)cc1=O
InChIInChI=1S/C17H20N6O2S/c1-21-16(25)7-14(9-19-21)22-3-2-12(10-22)8-18-15(24)6-13-11-23-4-5-26-17(23)20-13/h4-5,7,9,11-12H,2-3,6,8,10H2,1H3,(H,18,24)
InChIKeyJRQUMMDUMZQCGD-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.67
Rot. Bonds5

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70738538) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70738538
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)Cc3cn4ccsc4n3)C2)cc1=O
InChIInChI=1S/C17H20N6O2S/c1-21-16(25)7-14(9-19-21)22-3-2-12(10-22)8-18-15(24)6-13-11-23-4-5-26-17(23)20-13/h4-5,7,9,11-12H,2-3,6,8,10H2,1H3,(H,18,24)
InChIKeyJRQUMMDUMZQCGD-UHFFFAOYSA-N
XLogP0.67
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70715798
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70739773
3-(1-methylcyclopropyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 70755397
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 70730789
3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 45196861
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814
4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 50950008
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70722394
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 45236169

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70738538) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is Cn1ncc(N2CCC(CNC(=O)Cc3cn4ccsc4n3)C2)cc1=O.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is JRQUMMDUMZQCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-21-16(25)7-14(9-19-21)22-3-2-12(10-22)8-18-15(24)6-13-11-23-4-5-26-17(23)20-13/h4-5,7,9,11-12H,2-3,6,8,10H2,1H3,(H,18,24).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70738538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).