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

C12H14N2O3S — CID 60801851

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCOCC1
InChIInChI=1S/C12H14N2O3S/c15-5-1-2-10-8-13-12(18-10)14-11(16)9-3-6-17-7-4-9/h8-9,15H,3-7H2,(H,13,14,16)
InChIKeyNEBZLHAUFWNYAX-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.85
Rot. Bonds2

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 60801851) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID60801851
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCOCC1
InChIInChI=1S/C12H14N2O3S/c15-5-1-2-10-8-13-12(18-10)14-11(16)9-3-6-17-7-4-9/h8-9,15H,3-7H2,(H,13,14,16)
InChIKeyNEBZLHAUFWNYAX-UHFFFAOYSA-N
XLogP0.85
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 71999021
4,4,4-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]butanamide
CID 65713800
4,4,4-trifluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide
CID 65714603
4,4-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 81933124
N-(5-methyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 31969152
N-(5-Methyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 47443314
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 54922862
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 54922955
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 54923003
2-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide
CID 54923004
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 54923857
2-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]hexanamide
CID 54923859

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 60801851) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide is O=C(Nc1ncc(C#CCO)s1)C1CCOCC1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is NEBZLHAUFWNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-5-1-2-10-8-13-12(18-10)14-11(16)9-3-6-17-7-4-9/h8-9,15H,3-7H2,(H,13,14,16).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.85, 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]oxane-4-carboxamide is sourced from PubChem (CID 60801851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).