3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C19H17FN2OS2 — CID 56531821

About 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 56531821) has the molecular formula C19H17FN2OS2 and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 56531821
• Molecular Formula: C19H17FN2OS2
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.08
• IUPAC Name: 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(Cc2cnc(NC(=O)c3sccc3C3CC3)s2)cc1F
• InChI: InChI=1S/C19H17FN2OS2/c1-11-2-3-12(9-16(11)20)8-14-10-21-19(25-14)22-18(23)17-15(6-7-24-17)13-4-5-13/h2-3,6-7,9-10,13H,4-5,8H2,1H3,(H,21,22,23)
• InChIKey: NUBSRVVCEGKIAW-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 56531821) is 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1ccc(Cc2cnc(NC(=O)c3sccc3C3CC3)s2)cc1F.

What is the InChIKey of 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is NUBSRVVCEGKIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS2/c1-11-2-3-12(9-16(11)20)8-14-10-21-19(25-14)22-18(23)17-15(6-7-24-17)13-4-5-13/h2-3,6-7,9-10,13H,4-5,8H2,1H3,(H,21,22,23).

What are the key properties of 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56531821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).