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

C16H17Cl2N3O2S — CID 120785464

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

(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 120785464) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
• PubChem CID: 120785464
• Molecular Formula: C16H17Cl2N3O2S
• Molecular Weight: 386.30 g/mol
• Exact Mass: 385.04
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
• SMILES: NC[C@H]1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)O1
• InChI: InChI=1S/C16H17Cl2N3O2S/c17-12-3-1-2-9(14(12)18)6-11-8-20-16(24-11)21-15(22)13-5-4-10(7-19)23-13/h1-3,8,10,13H,4-7,19H2,(H,20,21,22)/t10-,13+/m1/s1
• InChIKey: FVZCQSOWFQRULE-MFKMUULPSA-N
• XLogP: 3.49
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.30
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 120785464) is (2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

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

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)O1.

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

The InChIKey is FVZCQSOWFQRULE-MFKMUULPSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c17-12-3-1-2-9(14(12)18)6-11-8-20-16(24-11)21-15(22)13-5-4-10(7-19)23-13/h1-3,8,10,13H,4-7,19H2,(H,20,21,22)/t10-,13+/m1/s1.

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

(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 386.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120785464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).