N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C19H18N4O3S2 — CID 90527213

About N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90527213) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• PubChem CID: 90527213
• Molecular Formula: C19H18N4O3S2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.08
• IUPAC Name: N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)cc1
• InChI: InChI=1S/C19H18N4O3S2/c1-26-13-6-4-12(5-7-13)20-19(25)23-9-8-14-16(11-23)28-18(21-14)22-17(24)15-3-2-10-27-15/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H,21,22,24)
• InChIKey: XCGVOJUVOANOAW-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The IUPAC name of N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90527213) is N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The InChIKey is XCGVOJUVOANOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-26-13-6-4-12(5-7-13)20-19(25)23-9-8-14-16(11-23)28-18(21-14)22-17(24)15-3-2-10-27-15/h2-7,10H,8-9,11H2,1H3,(H,20,25)(H,21,22,24).

What are the key properties of N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90527213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).