N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H12N4O2S — CID 95969216

IUPACN-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H12N4O2S/c1-14(6-9-11-4-5-17-9)10(16)7-2-3-8(15)13-12-7/h4-5H,2-3,6H2,1H3,(H,13,15)
InChIKeyPEKFAPIWLRKDCG-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.37
Rot. Bonds3

About N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 95969216) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID95969216
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H12N4O2S/c1-14(6-9-11-4-5-17-9)10(16)7-2-3-8(15)13-12-7/h4-5H,2-3,6H2,1H3,(H,13,15)
InChIKeyPEKFAPIWLRKDCG-UHFFFAOYSA-N
XLogP0.37
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 95969216) is N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(Cc1nccs1)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PEKFAPIWLRKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-14(6-9-11-4-5-17-9)10(16)7-2-3-8(15)13-12-7/h4-5H,2-3,6H2,1H3,(H,13,15).
What are the key properties of N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 95969216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).