2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

C18H19N7OS — CID 126926525

IUPAC2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C18H19N7OS/c26-17-4-3-16(24-7-5-19-13-24)21-25(17)12-15-2-1-6-22(15)10-14-11-23-8-9-27-18(23)20-14/h3-5,7-9,11,13,15H,1-2,6,10,12H2
InChIKeyMDCLTVTZMDEXRH-UHFFFAOYSA-N
MW381.47 g/mol
LogP1.80
Rot. Bonds5

About 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 126926525) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID126926525
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C18H19N7OS/c26-17-4-3-16(24-7-5-19-13-24)21-25(17)12-15-2-1-6-22(15)10-14-11-23-8-9-27-18(23)20-14/h3-5,7-9,11,13,15H,1-2,6,10,12H2
InChIKeyMDCLTVTZMDEXRH-UHFFFAOYSA-N
XLogP1.80
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (CID 126926525) is 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cn2ccsc2n1.
What is the InChIKey of 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is MDCLTVTZMDEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c26-17-4-3-16(24-7-5-19-13-24)21-25(17)12-15-2-1-6-22(15)10-14-11-23-8-9-27-18(23)20-14/h3-5,7-9,11,13,15H,1-2,6,10,12H2.
What are the key properties of 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 381.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126926525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).