N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine

C16H11F3N2OS — CID 166379526

IUPACN-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1csc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H11F3N2OS/c1-22-15-3-2-9(17)7-13(15)14-8-23-16(21-14)20-12-5-10(18)4-11(19)6-12/h2-8H,1H3,(H,20,21)
InChIKeyMUYOFVGCCCWINZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.98
Rot. Bonds4

About N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine

N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 166379526) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID166379526
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC NameN-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1csc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H11F3N2OS/c1-22-15-3-2-9(17)7-13(15)14-8-23-16(21-14)20-12-5-10(18)4-11(19)6-12/h2-8H,1H3,(H,20,21)
InChIKeyMUYOFVGCCCWINZ-UHFFFAOYSA-N
XLogP4.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878537
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55722696
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55722730
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine (CID 166379526) is N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(F)cc1-c1csc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is MUYOFVGCCCWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c1-22-15-3-2-9(17)7-13(15)14-8-23-16(21-14)20-12-5-10(18)4-11(19)6-12/h2-8H,1H3,(H,20,21).
What are the key properties of N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine?
N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 336.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166379526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).