N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide

C14H18N2O3S — CID 65160497

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2ncc(C#CCO)s2)C1C
InChIInChI=1S/C14H18N2O3S/c1-8-9(2)19-10(3)12(8)13(18)16-14-15-7-11(20-14)5-4-6-17/h7-10,12,17H,6H2,1-3H3,(H,15,16,18)
InChIKeyVVOJGQYQYXZPEF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.48
Rot. Bonds2

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65160497) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65160497
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2ncc(C#CCO)s2)C1C
InChIInChI=1S/C14H18N2O3S/c1-8-9(2)19-10(3)12(8)13(18)16-14-15-7-11(20-14)5-4-6-17/h7-10,12,17H,6H2,1-3H3,(H,15,16,18)
InChIKeyVVOJGQYQYXZPEF-UHFFFAOYSA-N
XLogP1.48
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide (CID 65160497) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2ncc(C#CCO)s2)C1C.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is VVOJGQYQYXZPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8-9(2)19-10(3)12(8)13(18)16-14-15-7-11(20-14)5-4-6-17/h7-10,12,17H,6H2,1-3H3,(H,15,16,18).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65160497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).