(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide

C17H18N4O2S — CID 120783350

IUPAC(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)O1
InChIInChI=1S/C17H18N4O2S/c18-9-13-5-6-15(23-13)16(22)19-12-3-1-11(2-4-12)14-10-21-7-8-24-17(21)20-14/h1-4,7-8,10,13,15H,5-6,9,18H2,(H,19,22)/t13-,15+/m1/s1
InChIKeyZBPGRVDYSXPVDQ-HIFRSBDPSA-N
MW342.42 g/mol
LogP2.51
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide (PubChem CID 120783350) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide
PubChem CID120783350
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)O1
InChIInChI=1S/C17H18N4O2S/c18-9-13-5-6-15(23-13)16(22)19-12-3-1-11(2-4-12)14-10-21-7-8-24-17(21)20-14/h1-4,7-8,10,13,15H,5-6,9,18H2,(H,19,22)/t13-,15+/m1/s1
InChIKeyZBPGRVDYSXPVDQ-HIFRSBDPSA-N
XLogP2.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.51
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-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide (CID 120783350) is (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide?
The InChIKey is ZBPGRVDYSXPVDQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-9-13-5-6-15(23-13)16(22)19-12-3-1-11(2-4-12)14-10-21-7-8-24-17(21)20-14/h1-4,7-8,10,13,15H,5-6,9,18H2,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.51, 4 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-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 120783350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).