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

C18H18N2S — CID 62070632

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline
SMILESCc1ncsc1CCNc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14-18(21-13-20-14)11-12-19-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3
InChIKeyMCUISHNFEPGEQR-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.77
Rot. Bonds5

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

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline (PubChem CID 62070632) 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]-2-phenylaniline.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline
PubChem CID62070632
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline
SMILESCc1ncsc1CCNc1ccccc1-c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14-18(21-13-20-14)11-12-19-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3
InChIKeyMCUISHNFEPGEQR-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]-2-phenylaniline?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline (CID 62070632) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline is Cc1ncsc1CCNc1ccccc1-c1ccccc1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline?
The InChIKey is MCUISHNFEPGEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14-18(21-13-20-14)11-12-19-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-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]-2-phenylaniline is sourced from PubChem (CID 62070632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).