N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C12H14N4O2S — CID 18081300

IUPACN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(C)cs2)ccc1=O
InChIInChI=1S/C12H14N4O2S/c1-3-6-16-10(17)5-4-9(15-16)11(18)14-12-13-8(2)7-19-12/h4-5,7H,3,6H2,1-2H3,(H,13,14,18)
InChIKeyIWLQMXDBYKFAPE-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.67
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18081300) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18081300
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(C)cs2)ccc1=O
InChIInChI=1S/C12H14N4O2S/c1-3-6-16-10(17)5-4-9(15-16)11(18)14-12-13-8(2)7-19-12/h4-5,7H,3,6H2,1-2H3,(H,13,14,18)
InChIKeyIWLQMXDBYKFAPE-UHFFFAOYSA-N
XLogP1.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 18081300) is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc(C)cs2)ccc1=O.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is IWLQMXDBYKFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-6-16-10(17)5-4-9(15-16)11(18)14-12-13-8(2)7-19-12/h4-5,7H,3,6H2,1-2H3,(H,13,14,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18081300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).