N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

C19H16N2O2S3 — CID 31834733

About N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 31834733) has the molecular formula C19H16N2O2S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 31834733
• Molecular Formula: C19H16N2O2S3
• Molecular Weight: 400.55 g/mol
• Exact Mass: 400.04
• IUPAC Name: N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccsc2)sc1C(=O)N(Cc1ccco1)Cc1cccs1
• InChI: InChI=1S/C19H16N2O2S3/c1-13-17(26-18(20-13)14-6-9-24-12-14)19(22)21(10-15-4-2-7-23-15)11-16-5-3-8-25-16/h2-9,12H,10-11H2,1H3
• InChIKey: TZNGPPXILLGIMQ-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 46.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.55
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 31834733) is N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)N(Cc1ccco1)Cc1cccs1.

What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is TZNGPPXILLGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S3/c1-13-17(26-18(20-13)14-6-9-24-12-14)19(22)21(10-15-4-2-7-23-15)11-16-5-3-8-25-16/h2-9,12H,10-11H2,1H3.

What are the key properties of N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?

N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31834733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).