N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide

About N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide (PubChem CID 11706781) has the molecular formula C25H30ClFN6O4S and a molecular weight of 565.07 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide.

Molecular Properties

Compound Name	N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
PubChem CID	11706781
Molecular Formula	C25H30ClFN6O4S
Molecular Weight	565.07 g/mol
Exact Mass	564.17
IUPAC Name	N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
SMILES	CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)sc2C1
InChI	InChI=1S/C25H30ClFN6O4S/c1-32(2)25(37)13-4-7-17(29-22(35)21(34)28-14-5-6-15(26)16(27)11-14)19(10-13)30-23(36)24-31-18-8-9-33(3)12-20(18)38-24/h5-6,11,13,17,19H,4,7-10,12H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)
InChIKey	YMQXOAPAMKYBMQ-UHFFFAOYSA-N
XLogP	2.03
TPSA	123.74 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.07
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?

The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide (CID 11706781) is N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide.

What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?

The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide is CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)sc2C1.

What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?

The InChIKey is YMQXOAPAMKYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN6O4S/c1-32(2)25(37)13-4-7-17(29-22(35)21(34)28-14-5-6-15(26)16(27)11-14)19(10-13)30-23(36)24-31-18-8-9-33(3)12-20(18)38-24/h5-6,11,13,17,19H,4,7-10,12H2,1-3H3,(H,28,34)(H,29,35)(H,30,36).

What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide?

N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide has a molecular weight of 565.07 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-chloro-3-fluorophenyl)-N-[4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide is sourced from PubChem (CID 11706781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).