N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride

C23H27Cl2N9O4S — CID 87512709

IUPACN'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride
SMILESCc1noc([C@H]2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)nn3)[C@H](NC(=O)c3nc4c(s3)CN(C)CC4)C2)n1.Cl
InChIInChI=1S/C23H26ClN9O4S.ClH/c1-11-25-22(37-32-11)12-3-4-13(26-19(34)20(35)29-18-6-5-17(24)30-31-18)15(9-12)27-21(36)23-28-14-7-8-33(2)10-16(14)38-23;/h5-6,12-13,15H,3-4,7-10H2,1-2H3,(H,26,34)(H,27,36)(H,29,31,35);1H/t12-,13-,15+;/m0./s1
InChIKeyQIVZAHFYXZZDOG-FITVTZAYSA-N
MW596.50 g/mol
LogP1.88
Rot. Bonds5

About N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride

N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride (PubChem CID 87512709) has the molecular formula C23H27Cl2N9O4S and a molecular weight of 596.50 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride
PubChem CID87512709
Molecular FormulaC23H27Cl2N9O4S
Molecular Weight596.50 g/mol
Exact Mass595.13
IUPAC NameN'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride
SMILESCc1noc([C@H]2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)nn3)[C@H](NC(=O)c3nc4c(s3)CN(C)CC4)C2)n1.Cl
InChIInChI=1S/C23H26ClN9O4S.ClH/c1-11-25-22(37-32-11)12-3-4-13(26-19(34)20(35)29-18-6-5-17(24)30-31-18)15(9-12)27-21(36)23-28-14-7-8-33(2)10-16(14)38-23;/h5-6,12-13,15H,3-4,7-10H2,1-2H3,(H,26,34)(H,27,36)(H,29,31,35);1H/t12-,13-,15+;/m0./s1
InChIKeyQIVZAHFYXZZDOG-FITVTZAYSA-N
XLogP1.88
TPSA168.13 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.50
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride (CID 87512709) is N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride is Cc1noc([C@H]2CC[C@H](NC(=O)C(=O)Nc3ccc(Cl)nn3)[C@H](NC(=O)c3nc4c(s3)CN(C)CC4)C2)n1.Cl.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride?
The InChIKey is QIVZAHFYXZZDOG-FITVTZAYSA-N. The full InChI is InChI=1S/C23H26ClN9O4S.ClH/c1-11-25-22(37-32-11)12-3-4-13(26-19(34)20(35)29-18-6-5-17(24)30-31-18)15(9-12)27-21(36)23-28-14-7-8-33(2)10-16(14)38-23;/h5-6,12-13,15H,3-4,7-10H2,1-2H3,(H,26,34)(H,27,36)(H,29,31,35);1H/t12-,13-,15+;/m0./s1.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride?
N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride has a molecular weight of 596.50 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloropyridazin-3-yl)-N-[(1S,2R,4S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide;hydrochloride is sourced from PubChem (CID 87512709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).