N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide

C15H24N2O3S — CID 71994257

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)C2CCCOC2)cs1
InChIInChI=1S/C15H24N2O3S/c1-4-20-11(2)14-16-13(10-21-14)8-17(3)15(18)12-6-5-7-19-9-12/h10-12H,4-9H2,1-3H3
InChIKeyKOKDKIFRNHMCLN-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.63
Rot. Bonds6

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide (PubChem CID 71994257) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide
PubChem CID71994257
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide
SMILESCCOC(C)c1nc(CN(C)C(=O)C2CCCOC2)cs1
InChIInChI=1S/C15H24N2O3S/c1-4-20-11(2)14-16-13(10-21-14)8-17(3)15(18)12-6-5-7-19-9-12/h10-12H,4-9H2,1-3H3
InChIKeyKOKDKIFRNHMCLN-UHFFFAOYSA-N
XLogP2.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide (CID 71994257) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide is CCOC(C)c1nc(CN(C)C(=O)C2CCCOC2)cs1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide?
The InChIKey is KOKDKIFRNHMCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-20-11(2)14-16-13(10-21-14)8-17(3)15(18)12-6-5-7-19-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxane-3-carboxamide is sourced from PubChem (CID 71994257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).