5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine

C16H14N2OS — CID 116811767

IUPAC5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C16H14N2OS/c17-16-18-10-15(20-16)13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,17,18)
InChIKeyNHXXXSSQLGUYGB-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.97
Rot. Bonds4

About 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine

5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 116811767) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID116811767
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C16H14N2OS/c17-16-18-10-15(20-16)13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,17,18)
InChIKeyNHXXXSSQLGUYGB-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 53273724
4-phenylmethoxyaniline
CID 159966727
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 79762020
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
2-(4-fluorophenyl)-N-[[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273035
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
4-[(4-phenylphenoxy)methyl]pyridin-2-amine
CID 62466234

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine (CID 116811767) is 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine is Nc1ncc(-c2ccc(OCc3ccccc3)cc2)s1.
What is the InChIKey of 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is NHXXXSSQLGUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c17-16-18-10-15(20-16)13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,17,18).
What are the key properties of 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116811767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).