[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone

C16H10Cl2N2OS — CID 87085361

IUPAC[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
SMILESNc1nc(-c2cccc(Cl)c2)c(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C16H10Cl2N2OS/c17-10-5-3-4-9(8-10)13-15(22-16(19)20-13)14(21)11-6-1-2-7-12(11)18/h1-8H,(H2,19,20)
InChIKeyCYFCXGAUKLSTMF-UHFFFAOYSA-N
MW349.24 g/mol
LogP4.93
Rot. Bonds3

About [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone

[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone (PubChem CID 87085361) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
PubChem CID87085361
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC Name[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
SMILESNc1nc(-c2cccc(Cl)c2)c(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C16H10Cl2N2OS/c17-10-5-3-4-9(8-10)13-15(22-16(19)20-13)14(21)11-6-1-2-7-12(11)18/h1-8H,(H2,19,20)
InChIKeyCYFCXGAUKLSTMF-UHFFFAOYSA-N
XLogP4.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone (CID 87085361) is [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone is Nc1nc(-c2cccc(Cl)c2)c(C(=O)c2ccccc2Cl)s1.
What is the InChIKey of [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The InChIKey is CYFCXGAUKLSTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-10-5-3-4-9(8-10)13-15(22-16(19)20-13)14(21)11-6-1-2-7-12(11)18/h1-8H,(H2,19,20).
What are the key properties of [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone has a molecular weight of 349.24 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 87085361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).