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

C18H18N2S — CID 43716894

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
SMILESCc1nc(C(C)Nc2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C18H18N2S/c1-13(18-12-21-14(2)20-18)19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,19H,1-2H3
InChIKeyUNBNYXBFQOBWAW-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.29
Rot. Bonds4

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline (PubChem CID 43716894) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
PubChem CID43716894
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
SMILESCc1nc(C(C)Nc2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C18H18N2S/c1-13(18-12-21-14(2)20-18)19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,19H,1-2H3
InChIKeyUNBNYXBFQOBWAW-UHFFFAOYSA-N
XLogP5.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
CID 43205876
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-5-amine
CID 107588200
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745436
N-[4-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 51885246

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline (CID 43716894) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline is Cc1nc(C(C)Nc2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline?
The InChIKey is UNBNYXBFQOBWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13(18-12-21-14(2)20-18)19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,19H,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline has a molecular weight of 294.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline is sourced from PubChem (CID 43716894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).