N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane

C60H63Cl3F3N15O9S6 — CID 158112819

About N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane

N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane (PubChem CID 158112819) has the molecular formula C60H63Cl3F3N15O9S6 and a molecular weight of 1494.01 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane
• PubChem CID: 158112819
• Molecular Formula: C60H63Cl3F3N15O9S6
• Molecular Weight: 1494.01 g/mol
• Exact Mass: 1491.23
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane
• SMILES: C.C.C.CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2cc(-c3cncnc3)cs2)NS1(=O)=O.CN1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](c2cc(-c3cncnc3)cs2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2cc(-c3cncnc3)cs2)NS1(=O)=O
• InChI: InChI=1S/3C19H17ClFN5O3S2.3CH4/c3*1-26-17(19(27)24-13-2-3-15(21)14(20)5-13)6-16(25-31(26,28)29)18-4-11(9-30-18)12-7-22-10-23-8-12;;;/h3*2-5,7-10,16-17,25H,6H2,1H3,(H,24,27);3*1H4/t2*16-,17+;;;;/m10..../s1
• InChIKey: FQQJZWKQDYIECC-JGKJLYCMSA-N
• XLogP: 11.56
• TPSA: 312.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1494.01
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	6
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-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane (CID 158112819) is N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-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-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane is C.C.C.CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2cc(-c3cncnc3)cs2)NS1(=O)=O.CN1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](c2cc(-c3cncnc3)cs2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2cc(-c3cncnc3)cs2)NS1(=O)=O.

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

The InChIKey is FQQJZWKQDYIECC-JGKJLYCMSA-N. The full InChI is InChI=1S/3C19H17ClFN5O3S2.3CH4/c3*1-26-17(19(27)24-13-2-3-15(21)14(20)5-13)6-16(25-31(26,28)29)18-4-11(9-30-18)12-7-22-10-23-8-12;;;/h3*2-5,7-10,16-17,25H,6H2,1H3,(H,24,27);3*1H4/t2*16-,17+;;;;/m10..../s1.

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

N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane has a molecular weight of 1494.01 g/mol, XLogP of 11.56, 12 rotatable bonds, 6 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-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane is sourced from PubChem (CID 158112819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).