4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide

C11H15N5O3S2 — CID 106383916

About 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide

4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106383916) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

• Compound Name: 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide
• PubChem CID: 106383916
• Molecular Formula: C11H15N5O3S2
• Molecular Weight: 329.41 g/mol
• Exact Mass: 329.06
• IUPAC Name: 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide
• SMILES: O=c1[nH]c(CNS(=O)(=O)c2[nH]ncc2CNC2CC2)cs1
• InChI: InChI=1S/C11H15N5O3S2/c17-11-15-9(6-20-11)5-14-21(18,19)10-7(4-13-16-10)3-12-8-1-2-8/h4,6,8,12,14H,1-3,5H2,(H,13,16)(H,15,17)
• InChIKey: BKOONQWYDVBXDB-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 119.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.41
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide?

The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 106383916) is 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide.

What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide?

The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide is O=c1[nH]c(CNS(=O)(=O)c2[nH]ncc2CNC2CC2)cs1.

What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide?

The InChIKey is BKOONQWYDVBXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c17-11-15-9(6-20-11)5-14-21(18,19)10-7(4-13-16-10)3-12-8-1-2-8/h4,6,8,12,14H,1-3,5H2,(H,13,16)(H,15,17).

What are the key properties of 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide?

4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 329.41 g/mol, XLogP of -0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106383916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).