N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline

C20H20N2S — CID 162416393

IUPACN-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline
SMILESc1ccc(N[C@@H]2CCC[C@@]2(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C20H20N2S/c1-3-8-16(9-4-1)20(19-21-14-15-23-19)13-7-12-18(20)22-17-10-5-2-6-11-17/h1-6,8-11,14-15,18,22H,7,12-13H2/t18-,20+/m1/s1
InChIKeyWLPXEQFNJZKVPS-QUCCMNQESA-N
MW320.46 g/mol
LogP5.09
Rot. Bonds4

About N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline

N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline (PubChem CID 162416393) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline
PubChem CID162416393
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC NameN-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline
SMILESc1ccc(N[C@@H]2CCC[C@@]2(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C20H20N2S/c1-3-8-16(9-4-1)20(19-21-14-15-23-19)13-7-12-18(20)22-17-10-5-2-6-11-17/h1-6,8-11,14-15,18,22H,7,12-13H2/t18-,20+/m1/s1
InChIKeyWLPXEQFNJZKVPS-QUCCMNQESA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline?
The IUPAC name of N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline (CID 162416393) is N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline.
What is the SMILES notation for N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline?
The canonical SMILES for N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline is c1ccc(N[C@@H]2CCC[C@@]2(c2ccccc2)c2nccs2)cc1.
What is the InChIKey of N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline?
The InChIKey is WLPXEQFNJZKVPS-QUCCMNQESA-N. The full InChI is InChI=1S/C20H20N2S/c1-3-8-16(9-4-1)20(19-21-14-15-23-19)13-7-12-18(20)22-17-10-5-2-6-11-17/h1-6,8-11,14-15,18,22H,7,12-13H2/t18-,20+/m1/s1.
What are the key properties of N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline?
N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline has a molecular weight of 320.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenyl-2-(1,3-thiazol-2-yl)cyclopentyl]aniline is sourced from PubChem (CID 162416393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).