N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine

C16H14N2OS — CID 116811791

IUPACN-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C16H14N2OS/c1-17-16-18-11-15(20-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)
InChIKeyQOEDESPHBHKDPH-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.64
Rot. Bonds4

About N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine

N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 116811791) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID116811791
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C16H14N2OS/c1-17-16-18-11-15(20-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)
InChIKeyQOEDESPHBHKDPH-UHFFFAOYSA-N
XLogP4.64
TPSA34.15 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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
ethane;N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 143142326
5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811882
N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 59177681
(5-phenyl-1,3-thiazol-2-yl)hydrazine;hydrochloride
CID 121237517
phenyl N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamate
CID 20829966
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088
5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811891
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine (CID 116811791) is N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine is CNc1ncc(-c2cccc(Oc3ccccc3)c2)s1.
What is the InChIKey of N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QOEDESPHBHKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-17-16-18-11-15(20-16)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18).
What are the key properties of N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine?
N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116811791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).