N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide

C9H8N4O2S — CID 30660624

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H8N4O2S/c1-13-4-5-16-9(13)10-8(15)6-2-3-7(14)12-11-6/h2-5H,1H3,(H,12,14)/b10-9-
InChIKeySKXXVOQCWOGPCU-KTKRTIGZSA-N
MW236.26 g/mol
LogP-0.09
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30660624) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30660624
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H8N4O2S/c1-13-4-5-16-9(13)10-8(15)6-2-3-7(14)12-11-6/h2-5H,1H3,(H,12,14)/b10-9-
InChIKeySKXXVOQCWOGPCU-KTKRTIGZSA-N
XLogP-0.09
TPSA80.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide (CID 30660624) is N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide is Cn1ccs/c1=N\C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SKXXVOQCWOGPCU-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-13-4-5-16-9(13)10-8(15)6-2-3-7(14)12-11-6/h2-5H,1H3,(H,12,14)/b10-9-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 236.26 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30660624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).