(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

C17H21N3O4S — CID 120783542

About (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 120783542) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
• PubChem CID: 120783542
• Molecular Formula: C17H21N3O4S
• Molecular Weight: 363.44 g/mol
• Exact Mass: 363.13
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
• SMILES: COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC[C@H](CN)O3)n2)c1
• InChI: InChI=1S/C17H21N3O4S/c1-22-10-3-5-14(23-2)12(7-10)13-9-25-17(19-13)20-16(21)15-6-4-11(8-18)24-15/h3,5,7,9,11,15H,4,6,8,18H2,1-2H3,(H,19,20,21)/t11-,15+/m1/s1
• InChIKey: MEMONLHZSCQHET-ABAIWWIYSA-N
• XLogP: 2.27
• TPSA: 95.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.44
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 120783542) is (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC[C@H](CN)O3)n2)c1.

What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?

The InChIKey is MEMONLHZSCQHET-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-22-10-3-5-14(23-2)12(7-10)13-9-25-17(19-13)20-16(21)15-6-4-11(8-18)24-15/h3,5,7,9,11,15H,4,6,8,18H2,1-2H3,(H,19,20,21)/t11-,15+/m1/s1.

What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?

(2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120783542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).