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

C60H69Cl3F3N15O9S6 — CID 158353764

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane
SMILESC.C.C.CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O.CN1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O
InChIInChI=1S/3C19H19ClFN5O3S2.3CH4/c3*1-25-8-16(22-10-25)11-5-18(30-9-11)15-7-17(26(2)31(28,29)24-15)19(27)23-12-3-4-14(21)13(20)6-12;;;/h3*3-6,8-10,15,17,24H,7H2,1-2H3,(H,23,27);3*1H4/t2*15-,17+;;;;/m10..../s1
InChIKeyGSQCMYFVXUALEC-JVBLWNNQSA-N
MW1500.06 g/mol
LogP11.39
Rot. Bonds12

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

N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane (PubChem CID 158353764) has the molecular formula C60H69Cl3F3N15O9S6 and a molecular weight of 1500.06 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane
PubChem CID158353764
Molecular FormulaC60H69Cl3F3N15O9S6
Molecular Weight1500.06 g/mol
Exact Mass1497.27
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane
SMILESC.C.C.CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O.CN1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O
InChIInChI=1S/3C19H19ClFN5O3S2.3CH4/c3*1-25-8-16(22-10-25)11-5-18(30-9-11)15-7-17(26(2)31(28,29)24-15)19(27)23-12-3-4-14(21)13(20)6-12;;;/h3*3-6,8-10,15,17,24H,7H2,1-2H3,(H,23,27);3*1H4/t2*15-,17+;;;;/m10..../s1
InChIKeyGSQCMYFVXUALEC-JVBLWNNQSA-N
XLogP11.39
TPSA288.99 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001500.06
LogP ≤ 511.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane (CID 158353764) is N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane is C.C.C.CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O.CN1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2cc(-c3cn(C)cn3)cs2)NS1(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane?
The InChIKey is GSQCMYFVXUALEC-JVBLWNNQSA-N. The full InChI is InChI=1S/3C19H19ClFN5O3S2.3CH4/c3*1-25-8-16(22-10-25)11-5-18(30-9-11)15-7-17(26(2)31(28,29)24-15)19(27)23-12-3-4-14(21)13(20)6-12;;;/h3*3-6,8-10,15,17,24H,7H2,1-2H3,(H,23,27);3*1H4/t2*15-,17+;;;;/m10..../s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane?
N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane has a molecular weight of 1500.06 g/mol, XLogP of 11.39, 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-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane is sourced from PubChem (CID 158353764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).