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

C22H24N4O2S2 — CID 90532251

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

N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90532251) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• PubChem CID: 90532251
• Molecular Formula: C22H24N4O2S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.13
• IUPAC Name: N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• SMILES: CC(C)(C)c1ccc(NC(=O)N2CCc3nc(NC(=O)c4ccsc4)sc3C2)cc1
• InChI: InChI=1S/C22H24N4O2S2/c1-22(2,3)15-4-6-16(7-5-15)23-21(28)26-10-8-17-18(12-26)30-20(24-17)25-19(27)14-9-11-29-13-14/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,23,28)(H,24,25,27)
• InChIKey: DSFLWRRGVCUHJK-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90532251) is N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

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

The canonical SMILES for N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCc3nc(NC(=O)c4ccsc4)sc3C2)cc1.

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

The InChIKey is DSFLWRRGVCUHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-22(2,3)15-4-6-16(7-5-15)23-21(28)26-10-8-17-18(12-26)30-20(24-17)25-19(27)14-9-11-29-13-14/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,23,28)(H,24,25,27).

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

N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90532251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).