N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide

C18H13F2N5O2S — CID 30593591

About N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 30593591) has the molecular formula C18H13F2N5O2S and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
• PubChem CID: 30593591
• Molecular Formula: C18H13F2N5O2S
• Molecular Weight: 401.40 g/mol
• Exact Mass: 401.08
• IUPAC Name: N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
• SMILES: Cc1nc(NC(=O)c2cc(=O)[nH]c3ccccc23)sc1-c1nccn1C(F)F
• InChI: InChI=1S/C18H13F2N5O2S/c1-9-14(15-21-6-7-25(15)17(19)20)28-18(22-9)24-16(27)11-8-13(26)23-12-5-3-2-4-10(11)12/h2-8,17H,1H3,(H,23,26)(H,22,24,27)
• InChIKey: WGIKNCICFCANHO-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.40
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?

The IUPAC name of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 30593591) is N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide.

What is the SMILES notation for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?

The canonical SMILES for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide is Cc1nc(NC(=O)c2cc(=O)[nH]c3ccccc23)sc1-c1nccn1C(F)F.

What is the InChIKey of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?

The InChIKey is WGIKNCICFCANHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2S/c1-9-14(15-21-6-7-25(15)17(19)20)28-18(22-9)24-16(27)11-8-13(26)23-12-5-3-2-4-10(11)12/h2-8,17H,1H3,(H,23,26)(H,22,24,27).

What are the key properties of N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide?

N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 30593591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).