N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide

C14H22N2O3S — CID 119034487

IUPACN-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOC1CC(CO)(NC(=O)c2scnc2C)C1(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-19-10-6-14(7-17,13(10,3)4)16-12(18)11-9(2)15-8-20-11/h8,10,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyNLDXQJFETZNPAB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.75
Rot. Bonds5

About N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119034487) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119034487
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOC1CC(CO)(NC(=O)c2scnc2C)C1(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-19-10-6-14(7-17,13(10,3)4)16-12(18)11-9(2)15-8-20-11/h8,10,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyNLDXQJFETZNPAB-UHFFFAOYSA-N
XLogP1.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 119034487) is N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide is CCOC1CC(CO)(NC(=O)c2scnc2C)C1(C)C.
What is the InChIKey of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NLDXQJFETZNPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-19-10-6-14(7-17,13(10,3)4)16-12(18)11-9(2)15-8-20-11/h8,10,17H,5-7H2,1-4H3,(H,16,18).
What are the key properties of N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119034487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).