4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine

C15H10Cl2N2OS — CID 10404792

IUPAC4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1
InChIInChI=1S/C15H10Cl2N2OS/c16-12-6-5-11(7-13(12)17)20-10-3-1-9(2-4-10)14-8-21-15(18)19-14/h1-8H,(H2,18,19)
InChIKeyGOXKAIUPKIASHY-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.49
Rot. Bonds3

About 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine

4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 10404792) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID10404792
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1
InChIInChI=1S/C15H10Cl2N2OS/c16-12-6-5-11(7-13(12)17)20-10-3-1-9(2-4-10)14-8-21-15(18)19-14/h1-8H,(H2,18,19)
InChIKeyGOXKAIUPKIASHY-UHFFFAOYSA-N
XLogP5.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine (CID 10404792) is 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1.
What is the InChIKey of 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is GOXKAIUPKIASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-12-6-5-11(7-13(12)17)20-10-3-1-9(2-4-10)14-8-21-15(18)19-14/h1-8H,(H2,18,19).
What are the key properties of 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine?
4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 337.23 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 10404792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).