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

C16H18N6O2S — CID 70715798

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3cn4ccsc4n3)C2)cc1=O
InChIInChI=1S/C16H18N6O2S/c1-20-14(23)6-12(8-18-20)21-3-2-11(9-21)7-17-15(24)13-10-22-4-5-25-16(22)19-13/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,17,24)
InChIKeyRLFURJFXMAGBCH-UHFFFAOYSA-N
MW358.43 g/mol
LogP0.75
Rot. Bonds4

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70715798) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70715798
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3cn4ccsc4n3)C2)cc1=O
InChIInChI=1S/C16H18N6O2S/c1-20-14(23)6-12(8-18-20)21-3-2-11(9-21)7-17-15(24)13-10-22-4-5-25-16(22)19-13/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,17,24)
InChIKeyRLFURJFXMAGBCH-UHFFFAOYSA-N
XLogP0.75
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70715798) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cn1ncc(N2CCC(CNC(=O)c3cn4ccsc4n3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is RLFURJFXMAGBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-20-14(23)6-12(8-18-20)21-3-2-11(9-21)7-17-15(24)13-10-22-4-5-25-16(22)19-13/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,17,24).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70715798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).