4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C18H22N4OS2 — CID 56860448

About 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 56860448) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
• PubChem CID: 56860448
• Molecular Formula: C18H22N4OS2
• Molecular Weight: 374.54 g/mol
• Exact Mass: 374.12
• IUPAC Name: 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
• SMILES: Cc1nc(NCc2ccsc2)sc1-c1ccn(CC2CCCCO2)n1
• InChI: InChI=1S/C18H22N4OS2/c1-13-17(25-18(20-13)19-10-14-6-9-24-12-14)16-5-7-22(21-16)11-15-4-2-3-8-23-15/h5-7,9,12,15H,2-4,8,10-11H2,1H3,(H,19,20)
• InChIKey: IFUADQNSEGSJEH-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 51.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.54
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?

The IUPAC name of 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 56860448) is 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

What is the SMILES notation for 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?

The canonical SMILES for 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(NCc2ccsc2)sc1-c1ccn(CC2CCCCO2)n1.

What is the InChIKey of 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?

The InChIKey is IFUADQNSEGSJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-13-17(25-18(20-13)19-10-14-6-9-24-12-14)16-5-7-22(21-16)11-15-4-2-3-8-23-15/h5-7,9,12,15H,2-4,8,10-11H2,1H3,(H,19,20).

What are the key properties of 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?

4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 374.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56860448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).