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

C21H20N4S2 — CID 42449375

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

5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 42449375) has the molecular formula C21H20N4S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
• PubChem CID: 42449375
• Molecular Formula: C21H20N4S2
• Molecular Weight: 392.55 g/mol
• Exact Mass: 392.11
• IUPAC Name: 5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
• SMILES: Cc1nc(NCc2ccsc2)sc1-c1ccn(C2Cc3ccccc3C2)n1
• InChI: InChI=1S/C21H20N4S2/c1-14-20(27-21(23-14)22-12-15-7-9-26-13-15)19-6-8-25(24-19)18-10-16-4-2-3-5-17(16)11-18/h2-9,13,18H,10-12H2,1H3,(H,22,23)
• InChIKey: UPSPNBHTFMULGO-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.55
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 42449375) is 5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

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

The canonical SMILES for 5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(NCc2ccsc2)sc1-c1ccn(C2Cc3ccccc3C2)n1.

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

The InChIKey is UPSPNBHTFMULGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S2/c1-14-20(27-21(23-14)22-12-15-7-9-26-13-15)19-6-8-25(24-19)18-10-16-4-2-3-5-17(16)11-18/h2-9,13,18H,10-12H2,1H3,(H,22,23).

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

5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 392.55 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42449375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).