4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine

C15H10Cl2N2S — CID 2382933

IUPAC4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1
InChIInChI=1S/C15H10Cl2N2S/c16-11-7-3-1-5-9(11)13-14(20-15(18)19-13)10-6-2-4-8-12(10)17/h1-8H,(H2,18,19)
InChIKeyOKEZTKMCIMHKKO-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.37
Rot. Bonds2

About 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine

4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 2382933) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID2382933
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1
InChIInChI=1S/C15H10Cl2N2S/c16-11-7-3-1-5-9(11)13-14(20-15(18)19-13)10-6-2-4-8-12(10)17/h1-8H,(H2,18,19)
InChIKeyOKEZTKMCIMHKKO-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 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine (CID 2382933) is 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1.
What is the InChIKey of 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is OKEZTKMCIMHKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-11-7-3-1-5-9(11)13-14(20-15(18)19-13)10-6-2-4-8-12(10)17/h1-8H,(H2,18,19).
What are the key properties of 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine?
4,5-bis(2-chlorophenyl)-1,3-thiazol-2-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 4,5-bis(2-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2382933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).