[4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine

C16H18N4O2S2 — CID 130358344

About [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine

[4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130358344) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

• Compound Name: [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
• PubChem CID: 130358344
• Molecular Formula: C16H18N4O2S2
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.09
• IUPAC Name: [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
• SMILES: CCc1cc(-c2cnn(C)c2)cc(S(=O)(=O)c2csc(CN)n2)c1
• InChI: InChI=1S/C16H18N4O2S2/c1-3-11-4-12(13-8-18-20(2)9-13)6-14(5-11)24(21,22)16-10-23-15(7-17)19-16/h4-6,8-10H,3,7,17H2,1-2H3
• InChIKey: NLRNJSOGPZGEHF-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 90.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?

The IUPAC name of [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130358344) is [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine.

What is the SMILES notation for [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?

The canonical SMILES for [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine is CCc1cc(-c2cnn(C)c2)cc(S(=O)(=O)c2csc(CN)n2)c1.

What is the InChIKey of [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?

The InChIKey is NLRNJSOGPZGEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-3-11-4-12(13-8-18-20(2)9-13)6-14(5-11)24(21,22)16-10-23-15(7-17)19-16/h4-6,8-10H,3,7,17H2,1-2H3.

What are the key properties of [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?

[4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 362.48 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130358344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).