4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine

C17H15BrN2O2S — CID 53338354

IUPAC4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3cccc(Br)c3)cs2)c1
InChIInChI=1S/C17H15BrN2O2S/c1-21-13-6-7-16(22-2)14(9-13)19-17-20-15(10-23-17)11-4-3-5-12(18)8-11/h3-10H,1-2H3,(H,19,20)
InChIKeyUNMVZKGCTMFLBJ-UHFFFAOYSA-N
MW391.29 g/mol
LogP5.33
Rot. Bonds5

About 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine

4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53338354) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53338354
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC Name4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3cccc(Br)c3)cs2)c1
InChIInChI=1S/C17H15BrN2O2S/c1-21-13-6-7-16(22-2)14(9-13)19-17-20-15(10-23-17)11-4-3-5-12(18)8-11/h3-10H,1-2H3,(H,19,20)
InChIKeyUNMVZKGCTMFLBJ-UHFFFAOYSA-N
XLogP5.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 53338354) is 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(OC)c(Nc2nc(-c3cccc(Br)c3)cs2)c1.
What is the InChIKey of 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is UNMVZKGCTMFLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-21-13-6-7-16(22-2)14(9-13)19-17-20-15(10-23-17)11-4-3-5-12(18)8-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 391.29 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53338354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).