4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide

C11H13N3O3S — CID 103862856

IUPAC4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
SMILESN#CC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H13N3O3S/c12-7-11(1-3-17-4-2-11)9(15)13-5-8-6-18-10(16)14-8/h6H,1-5H2,(H,13,15)(H,14,16)
InChIKeyONSXHWVYYZHPQR-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.37
Rot. Bonds3

About 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide

4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide (PubChem CID 103862856) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
PubChem CID103862856
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
SMILESN#CC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H13N3O3S/c12-7-11(1-3-17-4-2-11)9(15)13-5-8-6-18-10(16)14-8/h6H,1-5H2,(H,13,15)(H,14,16)
InChIKeyONSXHWVYYZHPQR-UHFFFAOYSA-N
XLogP0.37
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide (CID 103862856) is 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide is N#CC1(C(=O)NCc2csc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is ONSXHWVYYZHPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c12-7-11(1-3-17-4-2-11)9(15)13-5-8-6-18-10(16)14-8/h6H,1-5H2,(H,13,15)(H,14,16).
What are the key properties of 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide?
4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 103862856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).