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

C15H12Cl2N2S — CID 43385648

IUPACN-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1cc(Cl)cc(NC2=NCC(c3ccccc3)S2)c1
InChIInChI=1S/C15H12Cl2N2S/c16-11-6-12(17)8-13(7-11)19-15-18-9-14(20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyBAWCVJYTURXYHY-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.25
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43385648) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43385648
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC NameN-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1cc(Cl)cc(NC2=NCC(c3ccccc3)S2)c1
InChIInChI=1S/C15H12Cl2N2S/c16-11-6-12(17)8-13(7-11)19-15-18-9-14(20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19)
InChIKeyBAWCVJYTURXYHY-UHFFFAOYSA-N
XLogP5.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.25
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43385648) is N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Clc1cc(Cl)cc(NC2=NCC(c3ccccc3)S2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BAWCVJYTURXYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c16-11-6-12(17)8-13(7-11)19-15-18-9-14(20-15)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,19).
What are the key properties of N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 323.25 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43385648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).