N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H15N3O2S2 — CID 17428438

About N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 17428438) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 17428438
• Molecular Formula: C16H15N3O2S2
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.06
• IUPAC Name: N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc2nc(NC(=O)C(C)NC(=O)c3cccs3)sc2c1
• InChI: InChI=1S/C16H15N3O2S2/c1-9-5-6-11-13(8-9)23-16(18-11)19-14(20)10(2)17-15(21)12-4-3-7-22-12/h3-8,10H,1-2H3,(H,17,21)(H,18,19,20)
• InChIKey: NYPUCTZIYNDKHO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 17428438) is N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ccc2nc(NC(=O)C(C)NC(=O)c3cccs3)sc2c1.

What is the InChIKey of N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

The InChIKey is NYPUCTZIYNDKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-9-5-6-11-13(8-9)23-16(18-11)19-14(20)10(2)17-15(21)12-4-3-7-22-12/h3-8,10H,1-2H3,(H,17,21)(H,18,19,20).

What are the key properties of N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?

N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 17428438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).