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

C22H17BrN2OS — CID 3100458

IUPAC4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
SMILESBrc1ccc(COc2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H17BrN2OS/c23-18-10-6-16(7-11-18)14-26-20-12-8-17(9-13-20)21-15-27-22(25-21)24-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,24,25)
InChIKeyZMVHTYLKZGNFPJ-UHFFFAOYSA-N
MW437.36 g/mol
LogP6.90
Rot. Bonds6

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

4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 3100458) has the molecular formula C22H17BrN2OS and a molecular weight of 437.36 g/mol. Its IUPAC name is 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID3100458
Molecular FormulaC22H17BrN2OS
Molecular Weight437.36 g/mol
Exact Mass436.02
IUPAC Name4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
SMILESBrc1ccc(COc2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H17BrN2OS/c23-18-10-6-16(7-11-18)14-26-20-12-8-17(9-13-20)21-15-27-22(25-21)24-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,24,25)
InChIKeyZMVHTYLKZGNFPJ-UHFFFAOYSA-N
XLogP6.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.36
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 124529739
4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791226
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126054806
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126041010
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126044753
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 2058270
3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 58629361
ethyl 3-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]-2,2-dimethylpropanoate
CID 59117283
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126044571

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine (CID 3100458) is 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine is Brc1ccc(COc2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is ZMVHTYLKZGNFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2OS/c23-18-10-6-16(7-11-18)14-26-20-12-8-17(9-13-20)21-15-27-22(25-21)24-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,24,25).
What are the key properties of 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine?
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 437.36 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3100458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).