N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

C19H23ClN8O4S — CID 58893826

IUPACN'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)nn3)C(=O)N(C)C)sc2C1
InChIInChI=1S/C19H23ClN8O4S/c1-27(2)19(32)11(8-21-15(29)16(30)24-14-5-4-13(20)25-26-14)22-17(31)18-23-10-6-7-28(3)9-12(10)33-18/h4-5,11H,6-9H2,1-3H3,(H,21,29)(H,22,31)(H,24,26,30)
InChIKeyFEFKJGFQGOIJOZ-UHFFFAOYSA-N
MW494.97 g/mol
LogP-0.48
Rot. Bonds6

About N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide

N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (PubChem CID 58893826) has the molecular formula C19H23ClN8O4S and a molecular weight of 494.97 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
PubChem CID58893826
Molecular FormulaC19H23ClN8O4S
Molecular Weight494.97 g/mol
Exact Mass494.13
IUPAC NameN'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)nn3)C(=O)N(C)C)sc2C1
InChIInChI=1S/C19H23ClN8O4S/c1-27(2)19(32)11(8-21-15(29)16(30)24-14-5-4-13(20)25-26-14)22-17(31)18-23-10-6-7-28(3)9-12(10)33-18/h4-5,11H,6-9H2,1-3H3,(H,21,29)(H,22,31)(H,24,26,30)
InChIKeyFEFKJGFQGOIJOZ-UHFFFAOYSA-N
XLogP-0.48
TPSA149.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.97
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide (CID 58893826) is N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)nn3)C(=O)N(C)C)sc2C1.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
The InChIKey is FEFKJGFQGOIJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN8O4S/c1-27(2)19(32)11(8-21-15(29)16(30)24-14-5-4-13(20)25-26-14)22-17(31)18-23-10-6-7-28(3)9-12(10)33-18/h4-5,11H,6-9H2,1-3H3,(H,21,29)(H,22,31)(H,24,26,30).
What are the key properties of N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide?
N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide has a molecular weight of 494.97 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloropyridazin-3-yl)-N-[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]oxamide is sourced from PubChem (CID 58893826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).