N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C10H10N4O2S — CID 46524515

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1C
InChIInChI=1S/C10H10N4O2S/c1-5-6(2)17-10(11-5)12-9(16)7-3-4-8(15)14-13-7/h3-4H,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyABIKQFGXAGWRPN-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.10
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 46524515) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID46524515
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1C
InChIInChI=1S/C10H10N4O2S/c1-5-6(2)17-10(11-5)12-9(16)7-3-4-8(15)14-13-7/h3-4H,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyABIKQFGXAGWRPN-UHFFFAOYSA-N
XLogP1.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 46524515) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is Cc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ABIKQFGXAGWRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-5-6(2)17-10(11-5)12-9(16)7-3-4-8(15)14-13-7/h3-4H,1-2H3,(H,14,15)(H,11,12,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46524515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).