(2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide

C19H20N4O4S — CID 146147638

About (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide

(2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide (PubChem CID 146147638) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide.

Molecular Properties

• Compound Name: (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide
• PubChem CID: 146147638
• Molecular Formula: C19H20N4O4S
• Molecular Weight: 400.46 g/mol
• Exact Mass: 400.12
• IUPAC Name: (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide
• SMILES: Cc1sc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)nc1-c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C19H20N4O4S/c1-9-16(11-2-4-12-10(8-11)3-7-15(24)21-12)22-19(28-9)23-18(26)14-6-5-13(27-14)17(20)25/h2,4,8,13-14H,3,5-7H2,1H3,(H2,20,25)(H,21,24)(H,22,23,26)/t13-,14+/m1/s1
• InChIKey: DIUJBUVHDMPODW-KGLIPLIRSA-N
• XLogP: 1.97
• TPSA: 123.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.46
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide?

The IUPAC name of (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide (CID 146147638) is (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide.

What is the SMILES notation for (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide?

The canonical SMILES for (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide is Cc1sc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)nc1-c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide?

The InChIKey is DIUJBUVHDMPODW-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-9-16(11-2-4-12-10(8-11)3-7-15(24)21-12)22-19(28-9)23-18(26)14-6-5-13(27-14)17(20)25/h2,4,8,13-14H,3,5-7H2,1H3,(H2,20,25)(H,21,24)(H,22,23,26)/t13-,14+/m1/s1.

What are the key properties of (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide?

(2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide is sourced from PubChem (CID 146147638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).