5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H13F3N4O2S2 — CID 78843673

About 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 78843673) has the molecular formula C18H13F3N4O2S2 and a molecular weight of 438.46 g/mol. Its IUPAC name is 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 78843673
• Molecular Formula: C18H13F3N4O2S2
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.04
• IUPAC Name: 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C18H13F3N4O2S2/c19-18(20,21)11-3-1-10(2-4-11)7-12-8-22-16(29-12)24-14(26)13-9-23-17-25(15(13)27)5-6-28-17/h1-4,8-9H,5-7H2,(H,22,24,26)
• InChIKey: ZBJCGLDTMAHTFF-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 78843673) is 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cnc2n(c1=O)CCS2.

What is the InChIKey of 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is ZBJCGLDTMAHTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2S2/c19-18(20,21)11-3-1-10(2-4-11)7-12-8-22-16(29-12)24-14(26)13-9-23-17-25(15(13)27)5-6-28-17/h1-4,8-9H,5-7H2,(H,22,24,26).

What are the key properties of 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 78843673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).