2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide

C21H24N6O3S — CID 122279136

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
SMILESCc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C(C)n3nc(C4CC4)ccc3=O)n2)s1
InChIInChI=1S/C21H24N6O3S/c1-12-20(31-14(3)23-12)17-7-8-18(28)26(24-17)11-10-22-21(30)13(2)27-19(29)9-6-16(25-27)15-4-5-15/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,22,30)
InChIKeyDFGCMJLZEIVWKE-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.80
Rot. Bonds7

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide (PubChem CID 122279136) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
PubChem CID122279136
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
SMILESCc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C(C)n3nc(C4CC4)ccc3=O)n2)s1
InChIInChI=1S/C21H24N6O3S/c1-12-20(31-14(3)23-12)17-7-8-18(28)26(24-17)11-10-22-21(30)13(2)27-19(29)9-6-16(25-27)15-4-5-15/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,22,30)
InChIKeyDFGCMJLZEIVWKE-UHFFFAOYSA-N
XLogP1.80
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide (CID 122279136) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide is Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C(C)n3nc(C4CC4)ccc3=O)n2)s1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?
The InChIKey is DFGCMJLZEIVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-12-20(31-14(3)23-12)17-7-8-18(28)26(24-17)11-10-22-21(30)13(2)27-19(29)9-6-16(25-27)15-4-5-15/h6-9,13,15H,4-5,10-11H2,1-3H3,(H,22,30).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide has a molecular weight of 440.53 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 122279136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).