N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane

C52H52Cl3F3N18O9S6 — CID 157057245

About N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane

N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane (PubChem CID 157057245) has the molecular formula C52H52Cl3F3N18O9S6 and a molecular weight of 1428.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane
• PubChem CID: 157057245
• Molecular Formula: C52H52Cl3F3N18O9S6
• Molecular Weight: 1428.86 g/mol
• Exact Mass: 1426.15
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane
• SMILES: C.CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2ncc(-c3cn[nH]c3)s2)NS1(=O)=O.CN1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](c2ncc(-c3cn[nH]c3)s2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2ncc(-c3cn[nH]c3)s2)NS1(=O)=O
• InChI: InChI=1S/3C17H16ClFN6O3S2.CH4/c3*1-25-14(16(26)23-10-2-3-12(19)11(18)4-10)5-13(24-30(25,27)28)17-20-8-15(29-17)9-6-21-22-7-9;/h3*2-4,6-8,13-14,24H,5H2,1H3,(H,21,22)(H,23,26);1H4/t2*13-,14+;;/m10../s1
• InChIKey: AAXBZGKMIYQJBS-FRNHTKOWSA-N
• XLogP: 8.27
• TPSA: 360.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1428.86
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane (CID 157057245) is N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane is C.CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2ncc(-c3cn[nH]c3)s2)NS1(=O)=O.CN1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](c2ncc(-c3cn[nH]c3)s2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2ncc(-c3cn[nH]c3)s2)NS1(=O)=O.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane?

The InChIKey is AAXBZGKMIYQJBS-FRNHTKOWSA-N. The full InChI is InChI=1S/3C17H16ClFN6O3S2.CH4/c3*1-25-14(16(26)23-10-2-3-12(19)11(18)4-10)5-13(24-30(25,27)28)17-20-8-15(29-17)9-6-21-22-7-9;/h3*2-4,6-8,13-14,24H,5H2,1H3,(H,21,22)(H,23,26);1H4/t2*13-,14+;;/m10../s1.

What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane?

N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane has a molecular weight of 1428.86 g/mol, XLogP of 8.27, 12 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-[5-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-1,2,6-thiadiazinane-3-carboxamide;methane is sourced from PubChem (CID 157057245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).