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

C15H14N2OS — CID 29068099

IUPACN-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(Oc2ccccc2NC2=NCCS2)cc1
InChIInChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)17-15-16-10-11-19-15/h1-9H,10-11H2,(H,16,17)
InChIKeyTXPGKTDIQYKBLM-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.99
Rot. Bonds3

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

N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068099) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068099
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(Oc2ccccc2NC2=NCCS2)cc1
InChIInChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)17-15-16-10-11-19-15/h1-9H,10-11H2,(H,16,17)
InChIKeyTXPGKTDIQYKBLM-UHFFFAOYSA-N
XLogP3.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068099) is N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(Oc2ccccc2NC2=NCCS2)cc1.
What is the InChIKey of N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TXPGKTDIQYKBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)17-15-16-10-11-19-15/h1-9H,10-11H2,(H,16,17).
What are the key properties of N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).