N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C24H32ClFN6O2S2 — CID 11534128

About N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 11534128) has the molecular formula C24H32ClFN6O2S2 and a molecular weight of 555.15 g/mol. Its IUPAC name is N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 11534128
• Molecular Formula: C24H32ClFN6O2S2
• Molecular Weight: 555.15 g/mol
• Exact Mass: 554.17
• IUPAC Name: N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• SMILES: CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](N(C)C)CC[C@@H]3NC(=S)C(=O)Nc3ccc(F)cc3)sc2C1.Cl
• InChI: InChI=1S/C24H31FN6O2S2.ClH/c1-30(2)16-8-9-17(28-23(34)21(32)26-15-6-4-14(25)5-7-15)19(12-16)27-22(33)24-29-18-10-11-31(3)13-20(18)35-24;/h4-7,16-17,19H,8-13H2,1-3H3,(H,26,32)(H,27,33)(H,28,34);1H/t16-,17-,19+;/m0./s1
• InChIKey: PVMBAEGYMOENKK-ITJMAPPJSA-N
• XLogP: 2.83
• TPSA: 89.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.15
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 11534128) is N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](N(C)C)CC[C@@H]3NC(=S)C(=O)Nc3ccc(F)cc3)sc2C1.Cl.

What is the InChIKey of N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The InChIKey is PVMBAEGYMOENKK-ITJMAPPJSA-N. The full InChI is InChI=1S/C24H31FN6O2S2.ClH/c1-30(2)16-8-9-17(28-23(34)21(32)26-15-6-4-14(25)5-7-15)19(12-16)27-22(33)24-29-18-10-11-31(3)13-20(18)35-24;/h4-7,16-17,19H,8-13H2,1-3H3,(H,26,32)(H,27,33)(H,28,34);1H/t16-,17-,19+;/m0./s1.

What are the key properties of N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 555.15 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S,5S)-5-(dimethylamino)-2-[[2-(4-fluoroanilino)-2-oxoethanethioyl]amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 11534128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).