4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine

C15H11BrN2S — CID 2756846

IUPAC4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(-c3ccc(Br)cc3)cc2)cs1
InChIInChI=1S/C15H11BrN2S/c16-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-9-19-15(17)18-14/h1-9H,(H2,17,18)
InChIKeyLOWLBQYVCRNFPN-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.82
Rot. Bonds2

About 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine

4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 2756846) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
PubChem CID2756846
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(-c3ccc(Br)cc3)cc2)cs1
InChIInChI=1S/C15H11BrN2S/c16-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-9-19-15(17)18-14/h1-9H,(H2,17,18)
InChIKeyLOWLBQYVCRNFPN-UHFFFAOYSA-N
XLogP4.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
4-[4-(4-bromoanilino)-3,5-dimethylphenyl]-1,3-thiazol-2-amine
CID 174737012
4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide
CID 102555190
4-(4-bromophenyl)-1,3-thiazol-2-amine;methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3,3,3-trifluoropropanoate
CID 87617854
4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
CID 107924759
4-(2-amino-1,3-thiazol-4-yl)benzenesulfonic acid
CID 88812082
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
CID 16773762
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine (CID 2756846) is 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(-c3ccc(Br)cc3)cc2)cs1.
What is the InChIKey of 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is LOWLBQYVCRNFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-9-19-15(17)18-14/h1-9H,(H2,17,18).
What are the key properties of 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine?
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 331.24 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2756846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).