5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C15H16BrF3N2OS — CID 58791927

IUPAC5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(Nc2ncc(Br)s2)cc1C(F)(F)F
InChIInChI=1S/C15H16BrF3N2OS/c1-2-3-4-7-22-12-6-5-10(8-11(12)15(17,18)19)21-14-20-9-13(16)23-14/h5-6,8-9H,2-4,7H2,1H3,(H,20,21)
InChIKeyRXZNUYAJUILONF-UHFFFAOYSA-N
MW409.27 g/mol
LogP6.24
Rot. Bonds7

About 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58791927) has the molecular formula C15H16BrF3N2OS and a molecular weight of 409.27 g/mol. Its IUPAC name is 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID58791927
Molecular FormulaC15H16BrF3N2OS
Molecular Weight409.27 g/mol
Exact Mass408.01
IUPAC Name5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCCCOc1ccc(Nc2ncc(Br)s2)cc1C(F)(F)F
InChIInChI=1S/C15H16BrF3N2OS/c1-2-3-4-7-22-12-6-5-10(8-11(12)15(17,18)19)21-14-20-9-13(16)23-14/h5-6,8-9H,2-4,7H2,1H3,(H,20,21)
InChIKeyRXZNUYAJUILONF-UHFFFAOYSA-N
XLogP6.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 58791233
4-(6-fluoro-3-pyridinyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791211
4-(4-fluorophenyl)-2-N-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazole-2,5-diamine
CID 58791358
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-amine
CID 87078100
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 58791645
4-(2-chlorophenyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791993
6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-3-carboxylic acid
CID 58791994
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-quinolin-3-yl-1,3-thiazol-2-amine
CID 58791436
4-(6-chloro-5-methyl-3-pyridinyl)-N-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791870
2-[5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 58791490
4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791187
ethane;4-[2-[4-octoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzene-1,2-diol
CID 143328650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 58791927) is 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCCCCOc1ccc(Nc2ncc(Br)s2)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is RXZNUYAJUILONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N2OS/c1-2-3-4-7-22-12-6-5-10(8-11(12)15(17,18)19)21-14-20-9-13(16)23-14/h5-6,8-9H,2-4,7H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 409.27 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58791927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).