N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline

C18H18N2S — CID 60982356

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
SMILESCCc1ncc(CNc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C18H18N2S/c1-2-18-20-13-15(21-18)12-19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,13,19H,2,12H2,1H3
InChIKeyADVDGZZMBCQLPT-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.98
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline (PubChem CID 60982356) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
PubChem CID60982356
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
SMILESCCc1ncc(CNc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C18H18N2S/c1-2-18-20-13-15(21-18)12-19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,13,19H,2,12H2,1H3
InChIKeyADVDGZZMBCQLPT-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline (CID 60982356) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline is CCc1ncc(CNc2ccccc2-c2ccccc2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline?
The InChIKey is ADVDGZZMBCQLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-18-20-13-15(21-18)12-19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,13,19H,2,12H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline has a molecular weight of 294.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline is sourced from PubChem (CID 60982356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).