oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C19H22N4O2S — CID 46927903

IUPACoxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(C1CCOC1)N1C[C@@H]2C(CNc3nc(-c4ccccn4)cs3)[C@@H]2C1
InChIInChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13?,14-,15+
InChIKeyIWNSSSZVCTUKAL-ZMYVRHLSSA-N
MW370.48 g/mol
LogP2.36
Rot. Bonds5

About oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 46927903) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID46927903
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Nameoxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESO=C(C1CCOC1)N1C[C@@H]2C(CNc3nc(-c4ccccn4)cs3)[C@@H]2C1
InChIInChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13?,14-,15+
InChIKeyIWNSSSZVCTUKAL-ZMYVRHLSSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 46927903) is oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is O=C(C1CCOC1)N1C[C@@H]2C(CNc3nc(-c4ccccn4)cs3)[C@@H]2C1.
What is the InChIKey of oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is IWNSSSZVCTUKAL-ZMYVRHLSSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-18(12-4-6-25-10-12)23-8-14-13(15(14)9-23)7-21-19-22-17(11-26-19)16-3-1-2-5-20-16/h1-3,5,11-15H,4,6-10H2,(H,21,22)/t12?,13?,14-,15+.
What are the key properties of oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 46927903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).