2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C16H16N4O3S2 — CID 51049352

About 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 51049352) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
• PubChem CID: 51049352
• Molecular Formula: C16H16N4O3S2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.07
• IUPAC Name: 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
• SMILES: CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2ncc(C)s2)s1
• InChI: InChI=1S/C16H16N4O3S2/c1-9-7-17-15(24-9)19-14(22)13-10(2)18-16(25-13)20(11(3)21)8-12-5-4-6-23-12/h4-7H,8H2,1-3H3,(H,17,19,22)
• InChIKey: YEVNFYAHWJWTGQ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 51049352) is 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2ncc(C)s2)s1.

What is the InChIKey of 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?

The InChIKey is YEVNFYAHWJWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-9-7-17-15(24-9)19-14(22)13-10(2)18-16(25-13)20(11(3)21)8-12-5-4-6-23-12/h4-7H,8H2,1-3H3,(H,17,19,22).

What are the key properties of 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?

2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51049352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).