N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide

C19H14F3N5OS2 — CID 46842332

About N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide

N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide (PubChem CID 46842332) has the molecular formula C19H14F3N5OS2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 46842332
• Molecular Formula: C19H14F3N5OS2
• Molecular Weight: 449.48 g/mol
• Exact Mass: 449.06
• IUPAC Name: N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
• SMILES: CC(NC(=O)c1cc2scnc2cn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
• InChI: InChI=1S/C19H14F3N5OS2/c1-10(26-17(28)13-6-15-14(7-23-13)25-9-29-15)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22/h2-10H,1H3,(H,24,27)(H,26,28)
• InChIKey: DEKYAJKEZNCSJS-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.48
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide (CID 46842332) is N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2scnc2cn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.

What is the InChIKey of N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?

The InChIKey is DEKYAJKEZNCSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS2/c1-10(26-17(28)13-6-15-14(7-23-13)25-9-29-15)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22/h2-10H,1H3,(H,24,27)(H,26,28).

What are the key properties of N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide?

N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).