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

C12H15N3O2S — CID 63903829

IUPAC4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1(C#N)CCOCC1)c1nccs1
InChIInChI=1S/C12H15N3O2S/c1-9(10-14-4-7-18-10)15-11(16)12(8-13)2-5-17-6-3-12/h4,7,9H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyDXDYQYYFAASNDM-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.64
Rot. Bonds3

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

4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 63903829) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
PubChem CID63903829
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide
SMILESCC(NC(=O)C1(C#N)CCOCC1)c1nccs1
InChIInChI=1S/C12H15N3O2S/c1-9(10-14-4-7-18-10)15-11(16)12(8-13)2-5-17-6-3-12/h4,7,9H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyDXDYQYYFAASNDM-UHFFFAOYSA-N
XLogP1.64
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290
3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893085
4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 113234659
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 112696825
1-(N'-hydroxycarbamimidoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 77045292
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806
6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946165

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide (CID 63903829) is 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide is CC(NC(=O)C1(C#N)CCOCC1)c1nccs1.
What is the InChIKey of 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is DXDYQYYFAASNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9(10-14-4-7-18-10)15-11(16)12(8-13)2-5-17-6-3-12/h4,7,9H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide?
4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 63903829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).