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

C17H15BrCl2N2OS — CID 2873571

IUPACN-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)cc1
InChIInChI=1S/C17H14Cl2N2OS.BrH/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);1H
InChIKeyDTBDHOBTBHTZIC-UHFFFAOYSA-N
MW446.20 g/mol
LogP6.76
Rot. Bonds4

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

N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2873571) has the molecular formula C17H15BrCl2N2OS and a molecular weight of 446.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide
PubChem CID2873571
Molecular FormulaC17H15BrCl2N2OS
Molecular Weight446.20 g/mol
Exact Mass443.95
IUPAC NameN-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2C)cc1
InChIInChI=1S/C17H14Cl2N2OS.BrH/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);1H
InChIKeyDTBDHOBTBHTZIC-UHFFFAOYSA-N
XLogP6.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.20
LogP ≤ 56.76
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;hydrobromide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide (CID 2873571) is N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide is Br.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;hydrobromide?
The InChIKey is DTBDHOBTBHTZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS.BrH/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);1H.
What are the key properties of N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide?
N-(2,6-dichlorophenyl)-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 446.20 g/mol, XLogP of 6.76, 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;hydrobromide is sourced from PubChem (CID 2873571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).