2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide

C13H16N4OS — CID 25284514

About 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide

2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 25284514) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
• PubChem CID: 25284514
• Molecular Formula: C13H16N4OS
• Molecular Weight: 276.36 g/mol
• Exact Mass: 276.10
• IUPAC Name: 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
• SMILES: C[C@@H]1CCc2nc(NC(=O)c3ccnn3C)sc2C1
• InChI: InChI=1S/C13H16N4OS/c1-8-3-4-9-11(7-8)19-13(15-9)16-12(18)10-5-6-14-17(10)2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,18)/t8-/m1/s1
• InChIKey: IWYUNSQSUIVDMR-MRVPVSSYSA-N
• XLogP: 2.25
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.36
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

The IUPAC name of 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide (CID 25284514) is 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide is C[C@@H]1CCc2nc(NC(=O)c3ccnn3C)sc2C1.

What is the InChIKey of 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

The InChIKey is IWYUNSQSUIVDMR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-3-4-9-11(7-8)19-13(15-9)16-12(18)10-5-6-14-17(10)2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,18)/t8-/m1/s1.

What are the key properties of 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 25284514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).