4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

C24H20Cl2N2OS — CID 58955723

IUPAC4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc([C@H](Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)c2csc(N)n2)cc1
InChIInChI=1S/C24H20Cl2N2OS/c1-29-19-9-6-17(7-10-19)21(23-14-30-24(27)28-23)12-15-2-4-16(5-3-15)20-11-8-18(25)13-22(20)26/h2-11,13-14,21H,12H2,1H3,(H2,27,28)/t21-/m0/s1
InChIKeyALZLOHOTFRTKHU-NRFANRHFSA-N
MW455.41 g/mol
LogP7.08
Rot. Bonds6

About 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 58955723) has the molecular formula C24H20Cl2N2OS and a molecular weight of 455.41 g/mol. Its IUPAC name is 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID58955723
Molecular FormulaC24H20Cl2N2OS
Molecular Weight455.41 g/mol
Exact Mass454.07
IUPAC Name4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc([C@H](Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)c2csc(N)n2)cc1
InChIInChI=1S/C24H20Cl2N2OS/c1-29-19-9-6-17(7-10-19)21(23-14-30-24(27)28-23)12-15-2-4-16(5-3-15)20-11-8-18(25)13-22(20)26/h2-11,13-14,21H,12H2,1H3,(H2,27,28)/t21-/m0/s1
InChIKeyALZLOHOTFRTKHU-NRFANRHFSA-N
XLogP7.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 58955723) is 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is COc1ccc([C@H](Cc2ccc(-c3ccc(Cl)cc3Cl)cc2)c2csc(N)n2)cc1.
What is the InChIKey of 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is ALZLOHOTFRTKHU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20Cl2N2OS/c1-29-19-9-6-17(7-10-19)21(23-14-30-24(27)28-23)12-15-2-4-16(5-3-15)20-11-8-18(25)13-22(20)26/h2-11,13-14,21H,12H2,1H3,(H2,27,28)/t21-/m0/s1.
What are the key properties of 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 455.41 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-[4-(2,4-dichlorophenyl)phenyl]-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).