N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C19H18N4O2S2 — CID 35444070

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 35444070) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• PubChem CID: 35444070
• Molecular Formula: C19H18N4O2S2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.09
• IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• SMILES: Cc1cc(C)c2nc(NC(=O)c3ccc(CSc4nccn4C)o3)sc2c1
• InChI: InChI=1S/C19H18N4O2S2/c1-11-8-12(2)16-15(9-11)27-18(21-16)22-17(24)14-5-4-13(25-14)10-26-19-20-6-7-23(19)3/h4-9H,10H2,1-3H3,(H,21,22,24)
• InChIKey: ZYJYXSLZJLMYCN-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 35444070) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cc1cc(C)c2nc(NC(=O)c3ccc(CSc4nccn4C)o3)sc2c1.

What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The InChIKey is ZYJYXSLZJLMYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-11-8-12(2)16-15(9-11)27-18(21-16)22-17(24)14-5-4-13(25-14)10-26-19-20-6-7-23(19)3/h4-9H,10H2,1-3H3,(H,21,22,24).

What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 35444070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).