N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C19H16ClN3O4S — CID 50749626

IUPACN-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2cccc(Cl)c2)CCS3(=O)=O)c1
InChIInChI=1S/C19H16ClN3O4S/c1-27-15-7-2-4-12(10-15)16-17(23-8-9-28(25,26)19(23)22-16)18(24)21-14-6-3-5-13(20)11-14/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyRFULLKXXVMXFSI-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.25
Rot. Bonds4

About N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749626) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749626
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC NameN-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)Nc2cccc(Cl)c2)CCS3(=O)=O)c1
InChIInChI=1S/C19H16ClN3O4S/c1-27-15-7-2-4-12(10-15)16-17(23-8-9-28(25,26)19(23)22-16)18(24)21-14-6-3-5-13(20)11-14/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyRFULLKXXVMXFSI-UHFFFAOYSA-N
XLogP3.25
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][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-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749626) is N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(-c2nc3n(c2C(=O)Nc2cccc(Cl)c2)CCS3(=O)=O)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is RFULLKXXVMXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-27-15-7-2-4-12(10-15)16-17(23-8-9-28(25,26)19(23)22-16)18(24)21-14-6-3-5-13(20)11-14/h2-7,10-11H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 417.87 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).