N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline

C18H18N2S — CID 62253869

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline
SMILESCc1ncsc1CCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-14-18(21-13-20-14)11-12-19-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3
InChIKeyOPZBUKQXNVIDLS-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline (PubChem CID 62253869) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline
PubChem CID62253869
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline
SMILESCc1ncsc1CCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-14-18(21-13-20-14)11-12-19-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3
InChIKeyOPZBUKQXNVIDLS-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline (CID 62253869) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline is Cc1ncsc1CCNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline?
The InChIKey is OPZBUKQXNVIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14-18(21-13-20-14)11-12-19-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline has a molecular weight of 294.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline is sourced from PubChem (CID 62253869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).