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

C17H16N2S — CID 64993028

IUPAC4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(-c2ccccc2)cc1)c1nccs1
InChIInChI=1S/C17H16N2S/c1-13(17-18-11-12-20-17)19-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,19H,1H3
InChIKeyMWROHQCBKWSTKV-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.98
Rot. Bonds4

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

4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64993028) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64993028
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCC(Nc1ccc(-c2ccccc2)cc1)c1nccs1
InChIInChI=1S/C17H16N2S/c1-13(17-18-11-12-20-17)19-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,19H,1H3
InChIKeyMWROHQCBKWSTKV-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993113
4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988332
3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64990616
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
4-cyclopentyloxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993074
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64993028) is 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CC(Nc1ccc(-c2ccccc2)cc1)c1nccs1.
What is the InChIKey of 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is MWROHQCBKWSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-13(17-18-11-12-20-17)19-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,19H,1H3.
What are the key properties of 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 280.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64993028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).