6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C20H15ClN4O3S2 — CID 50749663

About 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749663) has the molecular formula C20H15ClN4O3S2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 50749663
• Molecular Formula: C20H15ClN4O3S2
• Molecular Weight: 458.95 g/mol
• Exact Mass: 458.03
• IUPAC Name: 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: Cc1nc2ccc(NC(=O)c3c(-c4ccc(Cl)cc4)nc4n3CCS4(=O)=O)cc2s1
• InChI: InChI=1S/C20H15ClN4O3S2/c1-11-22-15-7-6-14(10-16(15)29-11)23-19(26)18-17(12-2-4-13(21)5-3-12)24-20-25(18)8-9-30(20,27)28/h2-7,10H,8-9H2,1H3,(H,23,26)
• InChIKey: FKVUYSKLCPYNND-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 93.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.95
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749663) is 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2ccc(NC(=O)c3c(-c4ccc(Cl)cc4)nc4n3CCS4(=O)=O)cc2s1.

What is the InChIKey of 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is FKVUYSKLCPYNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3S2/c1-11-22-15-7-6-14(10-16(15)29-11)23-19(26)18-17(12-2-4-13(21)5-3-12)24-20-25(18)8-9-30(20,27)28/h2-7,10H,8-9H2,1H3,(H,23,26).

What are the key properties of 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?

6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).