N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H19N3O3S2 — CID 55394953

About N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 55394953) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 55394953
• Molecular Formula: C20H19N3O3S2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.09
• IUPAC Name: N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2cccs2)n1)NCC1COc2ccccc2C1
• InChI: InChI=1S/C20H19N3O3S2/c24-18(21-10-13-8-14-4-1-2-5-16(14)26-11-13)9-15-12-28-20(22-15)23-19(25)17-6-3-7-27-17/h1-7,12-13H,8-11H2,(H,21,24)(H,22,23,25)
• InChIKey: GWAFLOVHYWFLAG-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 55394953) is N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)NCC1COc2ccccc2C1.

What is the InChIKey of N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is GWAFLOVHYWFLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c24-18(21-10-13-8-14-4-1-2-5-16(14)26-11-13)9-15-12-28-20(22-15)23-19(25)17-6-3-7-27-17/h1-7,12-13H,8-11H2,(H,21,24)(H,22,23,25).

What are the key properties of N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3,4-dihydro-2H-chromen-3-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55394953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).