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

C16H12BrFN2S — CID 1190276

IUPACN-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(Cc2cnc(Nc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C16H12BrFN2S/c17-12-3-7-14(8-4-12)20-16-19-10-15(21-16)9-11-1-5-13(18)6-2-11/h1-8,10H,9H2,(H,19,20)
InChIKeyFSPRFVBEZZNWLX-UHFFFAOYSA-N
MW363.26 g/mol
LogP5.38
Rot. Bonds4

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

N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 1190276) has the molecular formula C16H12BrFN2S and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID1190276
Molecular FormulaC16H12BrFN2S
Molecular Weight363.26 g/mol
Exact Mass361.99
IUPAC NameN-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(Cc2cnc(Nc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C16H12BrFN2S/c17-12-3-7-14(8-4-12)20-16-19-10-15(21-16)9-11-1-5-13(18)6-2-11/h1-8,10H,9H2,(H,19,20)
InChIKeyFSPRFVBEZZNWLX-UHFFFAOYSA-N
XLogP5.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.26
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 1190276) is N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Fc1ccc(Cc2cnc(Nc3ccc(Br)cc3)s2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FSPRFVBEZZNWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2S/c17-12-3-7-14(8-4-12)20-16-19-10-15(21-16)9-11-1-5-13(18)6-2-11/h1-8,10H,9H2,(H,19,20).
What are the key properties of N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 363.26 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 1190276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).