2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline

C18H18N2S — CID 62899206

IUPAC2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCc1ccccc1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N2S/c1-2-14-8-6-7-11-16(14)19-12-18-20-17(13-21-18)15-9-4-3-5-10-15/h3-11,13,19H,2,12H2,1H3
InChIKeyWMLOFISCIQHCMV-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.98
Rot. Bonds5

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

2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 62899206) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID62899206
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCCc1ccccc1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N2S/c1-2-14-8-6-7-11-16(14)19-12-18-20-17(13-21-18)15-9-4-3-5-10-15/h3-11,13,19H,2,12H2,1H3
InChIKeyWMLOFISCIQHCMV-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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Related Compounds

N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
2-ethylsulfinyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115632299
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475643
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 113224729
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702011
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
N-(2-ethylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3543552
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 115608401

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline (CID 62899206) is 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline is CCc1ccccc1NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is WMLOFISCIQHCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-14-8-6-7-11-16(14)19-12-18-20-17(13-21-18)15-9-4-3-5-10-15/h3-11,13,19H,2,12H2,1H3.
What are the key properties of 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline?
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline 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 2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 62899206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).