N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C15H13N5O4S2 — CID 90515460

About N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515460) has the molecular formula C15H13N5O4S2 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
• PubChem CID: 90515460
• Molecular Formula: C15H13N5O4S2
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.04
• IUPAC Name: N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
• SMILES: CNC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3cccs3)n2)n1
• InChI: InChI=1S/C15H13N5O4S2/c1-16-11(21)5-8-7-26-15(17-8)20-12(22)9-6-24-14(18-9)19-13(23)10-3-2-4-25-10/h2-4,6-7H,5H2,1H3,(H,16,21)(H,17,20,22)(H,18,19,23)
• InChIKey: PCUUVUGHOYREMM-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 126.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515460) is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is CNC(=O)Cc1csc(NC(=O)c2coc(NC(=O)c3cccs3)n2)n1.

What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

The InChIKey is PCUUVUGHOYREMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S2/c1-16-11(21)5-8-7-26-15(17-8)20-12(22)9-6-24-14(18-9)19-13(23)10-3-2-4-25-10/h2-4,6-7H,5H2,1H3,(H,16,21)(H,17,20,22)(H,18,19,23).

What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).