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

C15H18N4O2S — CID 120799808

IUPAC(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nc(-c3ccncc3)cs2)O1
InChIInChI=1S/C15H18N4O2S/c16-7-11-1-2-13(21-11)15(20)18-8-14-19-12(9-22-14)10-3-5-17-6-4-10/h3-6,9,11,13H,1-2,7-8,16H2,(H,18,20)/t11-,13+/m1/s1
InChIKeyZBFUPTHORVVWSK-YPMHNXCESA-N
MW318.40 g/mol
LogP1.33
Rot. Bonds5

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

(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 120799808) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID120799808
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCc2nc(-c3ccncc3)cs2)O1
InChIInChI=1S/C15H18N4O2S/c16-7-11-1-2-13(21-11)15(20)18-8-14-19-12(9-22-14)10-3-5-17-6-4-10/h3-6,9,11,13H,1-2,7-8,16H2,(H,18,20)/t11-,13+/m1/s1
InChIKeyZBFUPTHORVVWSK-YPMHNXCESA-N
XLogP1.33
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide (CID 120799808) is (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCc2nc(-c3ccncc3)cs2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is ZBFUPTHORVVWSK-YPMHNXCESA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-7-11-1-2-13(21-11)15(20)18-8-14-19-12(9-22-14)10-3-5-17-6-4-10/h3-6,9,11,13H,1-2,7-8,16H2,(H,18,20)/t11-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.33, 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-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120799808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).