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

C16H14N2OS — CID 164893342

IUPAC5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(OCc3ccccc3)c2)s1
InChIInChI=1S/C16H14N2OS/c17-16-18-10-15(20-16)13-7-4-8-14(9-13)19-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18)
InChIKeyQGBWHFXXUJWLFU-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.97
Rot. Bonds4

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

5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 164893342) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID164893342
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(OCc3ccccc3)c2)s1
InChIInChI=1S/C16H14N2OS/c17-16-18-10-15(20-16)13-7-4-8-14(9-13)19-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18)
InChIKeyQGBWHFXXUJWLFU-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-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
5-chloro-6-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 166595361
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
CID 172877663
[5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 53273724
5-(2-chloropyrimidin-4-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58236707
2-chloro-5-(2-methylpropyl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;ethane
CID 167489217
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (CID 164893342) is 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is Nc1ncc(-c2cccc(OCc3ccccc3)c2)s1.
What is the InChIKey of 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QGBWHFXXUJWLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c17-16-18-10-15(20-16)13-7-4-8-14(9-13)19-11-12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18).
What are the key properties of 5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
5-(3-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-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164893342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).