N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine

C15H25N3OS — CID 97415695

IUPACN-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2O1
InChIInChI=1S/C15H25N3OS/c1-11(2)17(3)8-13-6-12-7-18(9-14(12)19-13)10-15-16-4-5-20-15/h4-5,11-14H,6-10H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyCQEPVOZBKYVDFX-MCIONIFRSA-N
MW295.45 g/mol
LogP2.07
Rot. Bonds5

About N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine

N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine (PubChem CID 97415695) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine
PubChem CID97415695
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2O1
InChIInChI=1S/C15H25N3OS/c1-11(2)17(3)8-13-6-12-7-18(9-14(12)19-13)10-15-16-4-5-20-15/h4-5,11-14H,6-10H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyCQEPVOZBKYVDFX-MCIONIFRSA-N
XLogP2.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine (CID 97415695) is N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)C[C@H]1C[C@@H]2CN(Cc3nccs3)C[C@@H]2O1.
What is the InChIKey of N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is CQEPVOZBKYVDFX-MCIONIFRSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11(2)17(3)8-13-6-12-7-18(9-14(12)19-13)10-15-16-4-5-20-15/h4-5,11-14H,6-10H2,1-3H3/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine?
N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 295.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 97415695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).