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

C13H16N2O3S — CID 54922862

IUPACN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)C1CCOCC1
InChIInChI=1S/C13H16N2O3S/c16-6-2-1-3-11-9-14-13(19-11)15-12(17)10-4-7-18-8-5-10/h9-10,16H,2,4-8H2,(H,14,15,17)
InChIKeyCLRHHGJDJWLJDX-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds3

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

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 54922862) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID54922862
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)C1CCOCC1
InChIInChI=1S/C13H16N2O3S/c16-6-2-1-3-11-9-14-13(19-11)15-12(17)10-4-7-18-8-5-10/h9-10,16H,2,4-8H2,(H,14,15,17)
InChIKeyCLRHHGJDJWLJDX-UHFFFAOYSA-N
XLogP1.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
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-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]butanamide
CID 65714603
4,4-difluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 81930533
N-(5-methyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 31969152
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
2-cyclopropyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 55031724
3-ethoxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 55091740
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 55102868

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 54922862) is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide is O=C(Nc1ncc(C#CCCO)s1)C1CCOCC1.
What is the InChIKey of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is CLRHHGJDJWLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-6-2-1-3-11-9-14-13(19-11)15-12(17)10-4-7-18-8-5-10/h9-10,16H,2,4-8H2,(H,14,15,17).
What are the key properties of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 54922862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).