N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

C13H7Cl2N3OS2 — CID 155548184

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cncs1
InChIInChI=1S/C13H7Cl2N3OS2/c14-8-2-1-7(3-9(8)15)10-5-20-13(17-10)18-12(19)11-4-16-6-21-11/h1-6H,(H,17,18,19)
InChIKeyPQCCUNVYOCLTAK-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.83
Rot. Bonds3

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 155548184) has the molecular formula C13H7Cl2N3OS2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID155548184
Molecular FormulaC13H7Cl2N3OS2
Molecular Weight356.26 g/mol
Exact Mass354.94
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cncs1
InChIInChI=1S/C13H7Cl2N3OS2/c14-8-2-1-7(3-9(8)15)10-5-20-13(17-10)18-12(19)11-4-16-6-21-11/h1-6H,(H,17,18,19)
InChIKeyPQCCUNVYOCLTAK-UHFFFAOYSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide 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 N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 155548184) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cncs1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PQCCUNVYOCLTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3OS2/c14-8-2-1-7(3-9(8)15)10-5-20-13(17-10)18-12(19)11-4-16-6-21-11/h1-6H,(H,17,18,19).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 356.26 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155548184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).