5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C17H17BrN2S — CID 3094859

IUPAC5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1
InChIInChI=1S/C17H17BrN2S/c1-12-2-8-15(9-3-12)20-17-19-11-16(21-17)10-13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3,(H,19,20)
InChIKeyKTKSHXRVVYJJPI-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.88
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3094859) has the molecular formula C17H17BrN2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3094859
Molecular FormulaC17H17BrN2S
Molecular Weight361.31 g/mol
Exact Mass360.03
IUPAC Name5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1
InChIInChI=1S/C17H17BrN2S/c1-12-2-8-15(9-3-12)20-17-19-11-16(21-17)10-13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3,(H,19,20)
InChIKeyKTKSHXRVVYJJPI-UHFFFAOYSA-N
XLogP4.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3094859) is 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KTKSHXRVVYJJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2S/c1-12-2-8-15(9-3-12)20-17-19-11-16(21-17)10-13-4-6-14(18)7-5-13/h2-9,16H,10-11H2,1H3,(H,19,20).
What are the key properties of 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 361.31 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3094859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).