N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C15H17N5O2S — CID 30901546

IUPACN-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cn2nc(C)c(C)c(C#N)c2=O)cs1
InChIInChI=1S/C15H17N5O2S/c1-5-19(11(4)21)15-17-12(8-23-15)7-20-14(22)13(6-16)9(2)10(3)18-20/h8H,5,7H2,1-4H3
InChIKeyRPBVDMCOFNSUKT-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.61
Rot. Bonds4

About N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 30901546) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID30901546
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cn2nc(C)c(C)c(C#N)c2=O)cs1
InChIInChI=1S/C15H17N5O2S/c1-5-19(11(4)21)15-17-12(8-23-15)7-20-14(22)13(6-16)9(2)10(3)18-20/h8H,5,7H2,1-4H3
InChIKeyRPBVDMCOFNSUKT-UHFFFAOYSA-N
XLogP1.61
TPSA91.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 30901546) is N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(Cn2nc(C)c(C)c(C#N)c2=O)cs1.
What is the InChIKey of N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is RPBVDMCOFNSUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-5-19(11(4)21)15-17-12(8-23-15)7-20-14(22)13(6-16)9(2)10(3)18-20/h8H,5,7H2,1-4H3.
What are the key properties of N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 331.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 30901546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).