2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C14H18N4OS — CID 126923353

IUPAC2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CCCC2Cn2ncccc2=O)sc1C
InChIInChI=1S/C14H18N4OS/c1-10-11(2)20-14(16-10)17-8-4-5-12(17)9-18-13(19)6-3-7-15-18/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyGDWDWKIEPCPJRX-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.99
Rot. Bonds3

About 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923353) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923353
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CCCC2Cn2ncccc2=O)sc1C
InChIInChI=1S/C14H18N4OS/c1-10-11(2)20-14(16-10)17-8-4-5-12(17)9-18-13(19)6-3-7-15-18/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyGDWDWKIEPCPJRX-UHFFFAOYSA-N
XLogP1.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923353) is 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1nc(N2CCCC2Cn2ncccc2=O)sc1C.
What is the InChIKey of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is GDWDWKIEPCPJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-11(2)20-14(16-10)17-8-4-5-12(17)9-18-13(19)6-3-7-15-18/h3,6-7,12H,4-5,8-9H2,1-2H3.
What are the key properties of 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 290.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).