N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

C19H14F3N3O3S2 — CID 90532121

About N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (PubChem CID 90532121) has the molecular formula C19H14F3N3O3S2 and a molecular weight of 453.47 g/mol. Its IUPAC name is N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
• PubChem CID: 90532121
• Molecular Formula: C19H14F3N3O3S2
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.04
• IUPAC Name: N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2)c1ccsc1
• InChI: InChI=1S/C19H14F3N3O3S2/c20-19(21,22)28-13-3-1-11(2-4-13)17(27)25-7-5-14-15(9-25)30-18(23-14)24-16(26)12-6-8-29-10-12/h1-4,6,8,10H,5,7,9H2,(H,23,24,26)
• InChIKey: GCXWPLMPEMVXEE-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?

The IUPAC name of N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (CID 90532121) is N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

What is the SMILES notation for N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?

The canonical SMILES for N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2)c1ccsc1.

What is the InChIKey of N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?

The InChIKey is GCXWPLMPEMVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S2/c20-19(21,22)28-13-3-1-11(2-4-13)17(27)25-7-5-14-15(9-25)30-18(23-14)24-16(26)12-6-8-29-10-12/h1-4,6,8,10H,5,7,9H2,(H,23,24,26).

What are the key properties of N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?

N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(trifluoromethoxy)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 90532121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).