N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

C17H14ClFN2O3S — CID 20934720

IUPACN-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCOc1ccc(Cl)cc1NC1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C
InChIInChI=1S/C17H14ClFN2O3S/c1-10-16(11-3-6-13(19)7-4-11)25(22,23)21-17(10)20-14-9-12(18)5-8-15(14)24-2/h3-9H,1-2H3,(H,20,21)
InChIKeyIOGLXRWQCMZPQL-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.07
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (PubChem CID 20934720) has the molecular formula C17H14ClFN2O3S and a molecular weight of 380.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
PubChem CID20934720
Molecular FormulaC17H14ClFN2O3S
Molecular Weight380.83 g/mol
Exact Mass380.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCOc1ccc(Cl)cc1NC1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C
InChIInChI=1S/C17H14ClFN2O3S/c1-10-16(11-3-6-13(19)7-4-11)25(22,23)21-17(10)20-14-9-12(18)5-8-15(14)24-2/h3-9H,1-2H3,(H,20,21)
InChIKeyIOGLXRWQCMZPQL-UHFFFAOYSA-N
XLogP4.07
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (CID 20934720) is N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is COc1ccc(Cl)cc1NC1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The InChIKey is IOGLXRWQCMZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3S/c1-10-16(11-3-6-13(19)7-4-11)25(22,23)21-17(10)20-14-9-12(18)5-8-15(14)24-2/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine has a molecular weight of 380.83 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is sourced from PubChem (CID 20934720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).