N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C9H10N4O2S — CID 2111081

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2=NCCS2)ccc1=O
InChIInChI=1S/C9H10N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-3H,4-5H2,1H3,(H,10,11,15)
InChIKeyZGKJNLDCVAFURQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.39
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 2111081) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID2111081
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2=NCCS2)ccc1=O
InChIInChI=1S/C9H10N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-3H,4-5H2,1H3,(H,10,11,15)
InChIKeyZGKJNLDCVAFURQ-UHFFFAOYSA-N
XLogP-0.39
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 2111081) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2=NCCS2)ccc1=O.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZGKJNLDCVAFURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-3H,4-5H2,1H3,(H,10,11,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 238.27 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2111081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).