N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide

C20H17ClF2N4O3S2 — CID 135317198

IUPACN-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2ncc(-c3ccc(F)cc3)s2)NS1(=O)=O
InChIInChI=1S/C20H17ClF2N4O3S2/c1-27-17(19(28)25-13-6-7-15(23)14(21)8-13)9-16(26-32(27,29)30)20-24-10-18(31-20)11-2-4-12(22)5-3-11/h2-8,10,16-17,26H,9H2,1H3,(H,25,28)
InChIKeyFYJZDFVXOHAIKQ-UHFFFAOYSA-N
MW498.96 g/mol
LogP3.96
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 135317198) has the molecular formula C20H17ClF2N4O3S2 and a molecular weight of 498.96 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
PubChem CID135317198
Molecular FormulaC20H17ClF2N4O3S2
Molecular Weight498.96 g/mol
Exact Mass498.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2ncc(-c3ccc(F)cc3)s2)NS1(=O)=O
InChIInChI=1S/C20H17ClF2N4O3S2/c1-27-17(19(28)25-13-6-7-15(23)14(21)8-13)9-16(26-32(27,29)30)20-24-10-18(31-20)11-2-4-12(22)5-3-11/h2-8,10,16-17,26H,9H2,1H3,(H,25,28)
InChIKeyFYJZDFVXOHAIKQ-UHFFFAOYSA-N
XLogP3.96
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.96
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (CID 135317198) is N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide is CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2ncc(-c3ccc(F)cc3)s2)NS1(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is FYJZDFVXOHAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O3S2/c1-27-17(19(28)25-13-6-7-15(23)14(21)8-13)9-16(26-32(27,29)30)20-24-10-18(31-20)11-2-4-12(22)5-3-11/h2-8,10,16-17,26H,9H2,1H3,(H,25,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 498.96 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 135317198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).