(2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride

C17H21Cl2N3O2S — CID 120788675

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

(2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120788675) has the molecular formula C17H21Cl2N3O2S and a molecular weight of 402.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
• PubChem CID: 120788675
• Molecular Formula: C17H21Cl2N3O2S
• Molecular Weight: 402.35 g/mol
• Exact Mass: 401.07
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
• SMILES: Cc1nc(NC(=O)[C@@H]2CC[C@H](CN)O2)sc1Cc1cccc(Cl)c1.Cl
• InChI: InChI=1S/C17H20ClN3O2S.ClH/c1-10-15(8-11-3-2-4-12(18)7-11)24-17(20-10)21-16(22)14-6-5-13(9-19)23-14;/h2-4,7,13-14H,5-6,8-9,19H2,1H3,(H,20,21,22);1H/t13-,14+;/m1./s1
• InChIKey: LJEOAKQKNDYSSZ-DFQHDRSWSA-N
• XLogP: 3.56
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.35
LogP ≤ 5	3.56
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-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride?

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (CID 120788675) is (2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.

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

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is Cc1nc(NC(=O)[C@@H]2CC[C@H](CN)O2)sc1Cc1cccc(Cl)c1.Cl.

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

The InChIKey is LJEOAKQKNDYSSZ-DFQHDRSWSA-N. The full InChI is InChI=1S/C17H20ClN3O2S.ClH/c1-10-15(8-11-3-2-4-12(18)7-11)24-17(20-10)21-16(22)14-6-5-13(9-19)23-14;/h2-4,7,13-14H,5-6,8-9,19H2,1H3,(H,20,21,22);1H/t13-,14+;/m1./s1.

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

(2S,5R)-5-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 402.35 g/mol, XLogP of 3.56, 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-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120788675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).