4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine

C23H20N2O2S — CID 4585301

IUPAC4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cs1
InChIInChI=1S/C23H20N2O2S/c24-23-25-22(16-28-23)19-11-20(26-14-17-7-3-1-4-8-17)13-21(12-19)27-15-18-9-5-2-6-10-18/h1-13,16H,14-15H2,(H2,24,25)
InChIKeyCAMJLLKLARFBGQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.55
Rot. Bonds7

About 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine

4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 4585301) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID4585301
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cs1
InChIInChI=1S/C23H20N2O2S/c24-23-25-22(16-28-23)19-11-20(26-14-17-7-3-1-4-8-17)13-21(12-19)27-15-18-9-5-2-6-10-18/h1-13,16H,14-15H2,(H2,24,25)
InChIKeyCAMJLLKLARFBGQ-UHFFFAOYSA-N
XLogP5.55
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
CID 28857485
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
4-[4-[(4-nitrophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
CID 2801363
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine
CID 62273519
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
3-[3,5-bis(phenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 4017523
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856582
3-methoxy-5-phenylmethoxyaniline
CID 12658785

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine (CID 4585301) is 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cs1.
What is the InChIKey of 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is CAMJLLKLARFBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c24-23-25-22(16-28-23)19-11-20(26-14-17-7-3-1-4-8-17)13-21(12-19)27-15-18-9-5-2-6-10-18/h1-13,16H,14-15H2,(H2,24,25).
What are the key properties of 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine?
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 388.49 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4585301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).