4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine

C15H10Cl2N2S — CID 63469685

IUPAC4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2S/c16-11-6-10(7-12(17)8-11)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyDKUDQUNTZWRBPO-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.37
Rot. Bonds2

About 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine

4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine (PubChem CID 63469685) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine
PubChem CID63469685
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10Cl2N2S/c16-11-6-10(7-12(17)8-11)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyDKUDQUNTZWRBPO-UHFFFAOYSA-N
XLogP5.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine (CID 63469685) is 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine is Nc1sc(-c2ccccc2)nc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine?
The InChIKey is DKUDQUNTZWRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-11-6-10(7-12(17)8-11)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine?
4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine has a molecular weight of 321.23 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-2-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 63469685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).