N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C14H16N4O2S — CID 122278048

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C14H16N4O2S/c1-9-13(21-8-16-9)14(20)15-6-7-18-12(19)5-4-11(17-18)10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,20)
InChIKeyYPJOYFWINXLCLR-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 122278048) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID122278048
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C14H16N4O2S/c1-9-13(21-8-16-9)14(20)15-6-7-18-12(19)5-4-11(17-18)10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,20)
InChIKeyYPJOYFWINXLCLR-UHFFFAOYSA-N
XLogP1.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 122278139
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122278053
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122277985
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122278010
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
4-methyl-N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126937638
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 122277905

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 122278048) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YPJOYFWINXLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-13(21-8-16-9)14(20)15-6-7-18-12(19)5-4-11(17-18)10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,20).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122278048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).