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

C17H15ClN2S — CID 60928680

IUPACN-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nccs2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2S/c1-12(14-3-2-4-15(18)11-14)20-16-7-5-13(6-8-16)17-19-9-10-21-17/h2-12,20H,1H3
InChIKeyRQRXXJBUAHYZGJ-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.64
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline (PubChem CID 60928680) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline
PubChem CID60928680
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nccs2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2S/c1-12(14-3-2-4-15(18)11-14)20-16-7-5-13(6-8-16)17-19-9-10-21-17/h2-12,20H,1H3
InChIKeyRQRXXJBUAHYZGJ-UHFFFAOYSA-N
XLogP5.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 60927080
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
CID 43745219
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline (CID 60928680) is N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline is CC(Nc1ccc(-c2nccs2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is RQRXXJBUAHYZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-12(14-3-2-4-15(18)11-14)20-16-7-5-13(6-8-16)17-19-9-10-21-17/h2-12,20H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 314.84 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).