N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C14H23N3O2S — CID 114629063

IUPACN-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC2CC(O)C2(C)C)cs1
InChIInChI=1S/C14H23N3O2S/c1-5-17(9(2)18)13-16-10(8-20-13)7-15-11-6-12(19)14(11,3)4/h8,11-12,15,19H,5-7H2,1-4H3
InChIKeyXOMJIBFDVBXHBJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.76
Rot. Bonds5

About N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 114629063) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID114629063
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC2CC(O)C2(C)C)cs1
InChIInChI=1S/C14H23N3O2S/c1-5-17(9(2)18)13-16-10(8-20-13)7-15-11-6-12(19)14(11,3)4/h8,11-12,15,19H,5-7H2,1-4H3
InChIKeyXOMJIBFDVBXHBJ-UHFFFAOYSA-N
XLogP1.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 114629063) is N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNC2CC(O)C2(C)C)cs1.
What is the InChIKey of N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XOMJIBFDVBXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-17(9(2)18)13-16-10(8-20-13)7-15-11-6-12(19)14(11,3)4/h8,11-12,15,19H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 114629063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).