N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide

C23H19N3O2S2 — CID 16938917

About N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide

N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 16938917) has the molecular formula C23H19N3O2S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
• PubChem CID: 16938917
• Molecular Formula: C23H19N3O2S2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.09
• IUPAC Name: N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
• SMILES: CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)c3nc4ccccc4s3)nc12
• InChI: InChI=1S/C23H19N3O2S2/c1-14(2)16-8-5-11-19-20(16)25-23(30-19)26(13-15-7-6-12-28-15)22(27)21-24-17-9-3-4-10-18(17)29-21/h3-12,14H,13H2,1-2H3
• InChIKey: VRJMZPDTOGYRAM-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide (CID 16938917) is N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide is CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)c3nc4ccccc4s3)nc12.

What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?

The InChIKey is VRJMZPDTOGYRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S2/c1-14(2)16-8-5-11-19-20(16)25-23(30-19)26(13-15-7-6-12-28-15)22(27)21-24-17-9-3-4-10-18(17)29-21/h3-12,14H,13H2,1-2H3.

What are the key properties of N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide?

N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 16938917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).