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

C16H26N4O2S — CID 120797004

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

(2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 120797004) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
• PubChem CID: 120797004
• Molecular Formula: C16H26N4O2S
• Molecular Weight: 338.48 g/mol
• Exact Mass: 338.18
• IUPAC Name: (2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
• SMILES: CC1CCCN(Cc2csc(NC(=O)[C@@H]3CC[C@H](CN)O3)n2)C1
• InChI: InChI=1S/C16H26N4O2S/c1-11-3-2-6-20(8-11)9-12-10-23-16(18-12)19-15(21)14-5-4-13(7-17)22-14/h10-11,13-14H,2-9,17H2,1H3,(H,18,19,21)/t11?,13-,14+/m1/s1
• InChIKey: BBGFQONUNGZGLQ-WLPIGLKUSA-N
• XLogP: 1.82
• TPSA: 80.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.48
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 120797004) is (2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

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

The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is CC1CCCN(Cc2csc(NC(=O)[C@@H]3CC[C@H](CN)O3)n2)C1.

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

The InChIKey is BBGFQONUNGZGLQ-WLPIGLKUSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11-3-2-6-20(8-11)9-12-10-23-16(18-12)19-15(21)14-5-4-13(7-17)22-14/h10-11,13-14H,2-9,17H2,1H3,(H,18,19,21)/t11?,13-,14+/m1/s1.

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

(2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120797004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).