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

C18H24ClN3O2S — CID 120788775

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

(2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120788775) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
• PubChem CID: 120788775
• Molecular Formula: C18H24ClN3O2S
• Molecular Weight: 381.93 g/mol
• Exact Mass: 381.13
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
• SMILES: Cc1cccc(Cc2sc(NC(=O)[C@@H]3CC[C@H](CN)O3)nc2C)c1.Cl
• InChI: InChI=1S/C18H23N3O2S.ClH/c1-11-4-3-5-13(8-11)9-16-12(2)20-18(24-16)21-17(22)15-7-6-14(10-19)23-15;/h3-5,8,14-15H,6-7,9-10,19H2,1-2H3,(H,20,21,22);1H/t14-,15+;/m1./s1
• InChIKey: IZNMFMPFTYPZDB-LIOBNPLQSA-N
• XLogP: 3.22
• 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	381.93
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride (CID 120788775) is (2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride.

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

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is Cc1cccc(Cc2sc(NC(=O)[C@@H]3CC[C@H](CN)O3)nc2C)c1.Cl.

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

The InChIKey is IZNMFMPFTYPZDB-LIOBNPLQSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-11-4-3-5-13(8-11)9-16-12(2)20-18(24-16)21-17(22)15-7-6-14(10-19)23-15;/h3-5,8,14-15H,6-7,9-10,19H2,1-2H3,(H,20,21,22);1H/t14-,15+;/m1./s1.

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

(2S,5R)-5-(aminomethyl)-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.22, 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-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120788775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).