N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine

C21H14Cl2N2OS — CID 44561286

IUPACN-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(Oc2ccc(Nc3nc(-c4ccccc4)cs3)cc2Cl)cc1
InChIInChI=1S/C21H14Cl2N2OS/c22-15-6-9-17(10-7-15)26-20-11-8-16(12-18(20)23)24-21-25-19(13-27-21)14-4-2-1-3-5-14/h1-13H,(H,24,25)
InChIKeyYHSZKVJPJSGNRX-UHFFFAOYSA-N
MW413.33 g/mol
LogP7.65
Rot. Bonds5

About N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine

N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 44561286) has the molecular formula C21H14Cl2N2OS and a molecular weight of 413.33 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID44561286
Molecular FormulaC21H14Cl2N2OS
Molecular Weight413.33 g/mol
Exact Mass412.02
IUPAC NameN-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(Oc2ccc(Nc3nc(-c4ccccc4)cs3)cc2Cl)cc1
InChIInChI=1S/C21H14Cl2N2OS/c22-15-6-9-17(10-7-15)26-20-11-8-16(12-18(20)23)24-21-25-19(13-27-21)14-4-2-1-3-5-14/h1-13H,(H,24,25)
InChIKeyYHSZKVJPJSGNRX-UHFFFAOYSA-N
XLogP7.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 1548457
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CID 25100734
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CID 25100731
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CID 873121
CID 873121
CID 2254772
CID 2254772
CID 4149421
CID 4149421
CID 18537293
CID 18537293
CID 722563
CID 722563
CID 2058278
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CID 51360478
CID 51360478
CID 51360480
CID 51360480

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine (CID 44561286) is N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine is Clc1ccc(Oc2ccc(Nc3nc(-c4ccccc4)cs3)cc2Cl)cc1.
What is the InChIKey of N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YHSZKVJPJSGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2OS/c22-15-6-9-17(10-7-15)26-20-11-8-16(12-18(20)23)24-21-25-19(13-27-21)14-4-2-1-3-5-14/h1-13H,(H,24,25).
What are the key properties of N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine?
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 413.33 g/mol, XLogP of 7.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-chlorophenoxy)phenyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 44561286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).