N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide

C23H21N3O3S — CID 93060285

About N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide

N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 93060285) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
• PubChem CID: 93060285
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
• SMILES: Cc1ccc(C(=O)N[C@@H](C)Cc2ccco2)cc1NC(=O)c1nsc2ccccc12
• InChI: InChI=1S/C23H21N3O3S/c1-14-9-10-16(22(27)24-15(2)12-17-6-5-11-29-17)13-19(14)25-23(28)21-18-7-3-4-8-20(18)30-26-21/h3-11,13,15H,12H2,1-2H3,(H,24,27)(H,25,28)/t15-/m0/s1
• InChIKey: KJOVYFUNYBBRGT-HNNXBMFYSA-N
• XLogP: 4.81
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide?

The IUPAC name of N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide (CID 93060285) is N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide.

What is the SMILES notation for N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide?

The canonical SMILES for N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide is Cc1ccc(C(=O)N[C@@H](C)Cc2ccco2)cc1NC(=O)c1nsc2ccccc12.

What is the InChIKey of N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide?

The InChIKey is KJOVYFUNYBBRGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-14-9-10-16(22(27)24-15(2)12-17-6-5-11-29-17)13-19(14)25-23(28)21-18-7-3-4-8-20(18)30-26-21/h3-11,13,15H,12H2,1-2H3,(H,24,27)(H,25,28)/t15-/m0/s1.

What are the key properties of N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide?

N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 93060285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).