N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C11H10N4O2S — CID 33039001

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H10N4O2S/c16-9-5-4-7(14-15-9)10(17)13-11-12-6-2-1-3-8(6)18-11/h4-5H,1-3H2,(H,15,16)(H,12,13,17)
InChIKeyPWTQLIMTFXJJAG-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.97
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 33039001) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID33039001
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H10N4O2S/c16-9-5-4-7(14-15-9)10(17)13-11-12-6-2-1-3-8(6)18-11/h4-5H,1-3H2,(H,15,16)(H,12,13,17)
InChIKeyPWTQLIMTFXJJAG-UHFFFAOYSA-N
XLogP0.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 33039001) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1nc2c(s1)CCC2)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is PWTQLIMTFXJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-9-5-4-7(14-15-9)10(17)13-11-12-6-2-1-3-8(6)18-11/h4-5H,1-3H2,(H,15,16)(H,12,13,17).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 33039001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).