N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride

C18H15Cl2F3N4O2S — CID 126744062

About N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride

N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride (PubChem CID 126744062) has the molecular formula C18H15Cl2F3N4O2S and a molecular weight of 479.31 g/mol. Its IUPAC name is N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
• PubChem CID: 126744062
• Molecular Formula: C18H15Cl2F3N4O2S
• Molecular Weight: 479.31 g/mol
• Exact Mass: 478.02
• IUPAC Name: N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
• SMILES: Cl.NCC(CCl)Oc1sncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)n1
• InChI: InChI=1S/C18H14ClF3N4O2S.ClH/c19-6-9(7-23)28-18-14(8-24-29-18)26-17(27)13-5-4-12(22)16(25-13)15-10(20)2-1-3-11(15)21;/h1-5,8-9H,6-7,23H2,(H,26,27);1H
• InChIKey: SRZGXBFPCRMVOD-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.31
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride (CID 126744062) is N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride is Cl.NCC(CCl)Oc1sncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)n1.

What is the InChIKey of N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride?

The InChIKey is SRZGXBFPCRMVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2S.ClH/c19-6-9(7-23)28-18-14(8-24-29-18)26-17(27)13-5-4-12(22)16(25-13)15-10(20)2-1-3-11(15)21;/h1-5,8-9H,6-7,23H2,(H,26,27);1H.

What are the key properties of N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride?

N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride has a molecular weight of 479.31 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126744062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).