N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine

C17H14Cl2N2OS — CID 1350481

IUPACN-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)cc1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-15(11-6-8-12(22-2)9-7-11)20-17(23-10)21-16-13(18)4-3-5-14(16)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXFLGDSPSLWXROF-UHFFFAOYSA-N
MW365.29 g/mol
LogP6.18
Rot. Bonds4

About N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine

N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 1350481) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID1350481
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC NameN-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)cc1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-15(11-6-8-12(22-2)9-7-11)20-17(23-10)21-16-13(18)4-3-5-14(16)19/h3-9H,1-2H3,(H,20,21)
InChIKeyXFLGDSPSLWXROF-UHFFFAOYSA-N
XLogP6.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine (CID 1350481) is N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is COc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is XFLGDSPSLWXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-10-15(11-6-8-12(22-2)9-7-11)20-17(23-10)21-16-13(18)4-3-5-14(16)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 365.29 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1350481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).