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

C17H14ClFN2OS — CID 44721430

IUPACN-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(Nc3ccccc3Cl)nc2C)c(F)c1
InChIInChI=1S/C17H14ClFN2OS/c1-10-16(12-8-7-11(22-2)9-14(12)19)23-17(20-10)21-15-6-4-3-5-13(15)18/h3-9H,1-2H3,(H,20,21)
InChIKeyYRKACMSNSALKOA-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.66
Rot. Bonds4

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

N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 44721430) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID44721430
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC NameN-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(Nc3ccccc3Cl)nc2C)c(F)c1
InChIInChI=1S/C17H14ClFN2OS/c1-10-16(12-8-7-11(22-2)9-14(12)19)23-17(20-10)21-15-6-4-3-5-13(15)18/h3-9H,1-2H3,(H,20,21)
InChIKeyYRKACMSNSALKOA-UHFFFAOYSA-N
XLogP5.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine (CID 44721430) is N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine is COc1ccc(-c2sc(Nc3ccccc3Cl)nc2C)c(F)c1.
What is the InChIKey of N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YRKACMSNSALKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c1-10-16(12-8-7-11(22-2)9-14(12)19)23-17(20-10)21-15-6-4-3-5-13(15)18/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 348.83 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 44721430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).