5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide

C18H19BrN2S — CID 20558014

IUPAC5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1sc(NCCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2S.BrH/c1-14-17(16-10-6-3-7-11-16)20-18(21-14)19-13-12-15-8-4-2-5-9-15;/h2-11H,12-13H2,1H3,(H,19,20);1H
InChIKeyWCXJDDPHWIKWRN-UHFFFAOYSA-N
MW375.33 g/mol
LogP5.35
Rot. Bonds5

About 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide

5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 20558014) has the molecular formula C18H19BrN2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID20558014
Molecular FormulaC18H19BrN2S
Molecular Weight375.33 g/mol
Exact Mass374.05
IUPAC Name5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1sc(NCCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2S.BrH/c1-14-17(16-10-6-3-7-11-16)20-18(21-14)19-13-12-15-8-4-2-5-9-15;/h2-11H,12-13H2,1H3,(H,19,20);1H
InChIKeyWCXJDDPHWIKWRN-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.33
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide (CID 20558014) is 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1sc(NCCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is WCXJDDPHWIKWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S.BrH/c1-14-17(16-10-6-3-7-11-16)20-18(21-14)19-13-12-15-8-4-2-5-9-15;/h2-11H,12-13H2,1H3,(H,19,20);1H.
What are the key properties of 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide?
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 375.33 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 20558014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).