4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine

C17H16N2S — CID 88924616

IUPAC4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(CCc2ccccc2)s1
InChIInChI=1S/C17H16N2S/c18-17-19-16(14-9-5-2-6-10-14)15(20-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,18,19)
InChIKeyWUJMSYVUUQROPB-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.18
Rot. Bonds4

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

4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 88924616) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID88924616
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(CCc2ccccc2)s1
InChIInChI=1S/C17H16N2S/c18-17-19-16(14-9-5-2-6-10-14)15(20-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,18,19)
InChIKeyWUJMSYVUUQROPB-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine (CID 88924616) is 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(CCc2ccccc2)s1.
What is the InChIKey of 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is WUJMSYVUUQROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c18-17-19-16(14-9-5-2-6-10-14)15(20-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,18,19).
What are the key properties of 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine?
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 88924616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).