N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide

C13H20N2O2S — CID 82760720

IUPACN-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2cscn2)CCO1
InChIInChI=1S/C13H20N2O2S/c1-3-13(4-2)7-10(5-6-17-13)15-12(16)11-8-18-9-14-11/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyNOQNACQWTXHOCL-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.61
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide

N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 82760720) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID82760720
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2cscn2)CCO1
InChIInChI=1S/C13H20N2O2S/c1-3-13(4-2)7-10(5-6-17-13)15-12(16)11-8-18-9-14-11/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyNOQNACQWTXHOCL-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide (CID 82760720) is N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide is CCC1(CC)CC(NC(=O)c2cscn2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NOQNACQWTXHOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-13(4-2)7-10(5-6-17-13)15-12(16)11-8-18-9-14-11/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide?
N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 82760720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).