5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine

C16H14N2OS — CID 828522

IUPAC5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-15(18-16(17)20-11)12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,18)
InChIKeyDYSCCWAWXXKGND-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.49
Rot. Bonds3

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

5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 828522) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID828522
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-15(18-16(17)20-11)12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,18)
InChIKeyDYSCCWAWXXKGND-UHFFFAOYSA-N
XLogP4.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 828522) is 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is DYSCCWAWXXKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-15(18-16(17)20-11)12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,18).
What are the key properties of 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 828522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).