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

C12H14N4O2S — CID 31304929

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)/N=c2\sccn2C)ccc1=O
InChIInChI=1S/C12H14N4O2S/c1-3-6-16-10(17)5-4-9(14-16)11(18)13-12-15(2)7-8-19-12/h4-5,7-8H,3,6H2,1-2H3/b13-12-
InChIKeyAVLQYOFZDNJCPL-SEYXRHQNSA-N
MW278.34 g/mol
LogP0.79
Rot. Bonds3

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

N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 31304929) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID31304929
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)/N=c2\sccn2C)ccc1=O
InChIInChI=1S/C12H14N4O2S/c1-3-6-16-10(17)5-4-9(14-16)11(18)13-12-15(2)7-8-19-12/h4-5,7-8H,3,6H2,1-2H3/b13-12-
InChIKeyAVLQYOFZDNJCPL-SEYXRHQNSA-N
XLogP0.79
TPSA69.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide (CID 31304929) is N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)/N=c2\sccn2C)ccc1=O.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is AVLQYOFZDNJCPL-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-6-16-10(17)5-4-9(14-16)11(18)13-12-15(2)7-8-19-12/h4-5,7-8H,3,6H2,1-2H3/b13-12-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 31304929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).