N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide

C16H26N2O3S — CID 124877205

IUPACN-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@H](C)O)s2)C1(CC)CC
InChIInChI=1S/C16H26N2O3S/c1-5-16(6-2)12(8-13(16)21-7-3)18-14(20)11-9-17-15(22-11)10(4)19/h9-10,12-13,19H,5-8H2,1-4H3,(H,18,20)/t10-,12+,13+/m0/s1
InChIKeyFBMKCMFEWFOEMJ-CYZMBNFOSA-N
MW326.46 g/mol
LogP2.91
Rot. Bonds7

About N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide

N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide (PubChem CID 124877205) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
PubChem CID124877205
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@H](C)O)s2)C1(CC)CC
InChIInChI=1S/C16H26N2O3S/c1-5-16(6-2)12(8-13(16)21-7-3)18-14(20)11-9-17-15(22-11)10(4)19/h9-10,12-13,19H,5-8H2,1-4H3,(H,18,20)/t10-,12+,13+/m0/s1
InChIKeyFBMKCMFEWFOEMJ-CYZMBNFOSA-N
XLogP2.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689155
2-N-(3-ethoxy-2,2-diethylcyclobutyl)pyridine-2,5-dicarboxamide
CID 119146326
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673960
2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638709
5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 103790354
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 96528939
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822495
trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
CID 95781902
1-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)cyclopentane-1-carboxamide
CID 119344173
2-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109390574
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 109390304
N-[(3,3-difluorocyclobutyl)methyl]-2-[(1S)-1-ethoxyethyl]-1,3-thiazole-5-carboxamide
CID 164633307

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide (CID 124877205) is N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide is CCO[C@@H]1C[C@@H](NC(=O)c2cnc([C@H](C)O)s2)C1(CC)CC.
What is the InChIKey of N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FBMKCMFEWFOEMJ-CYZMBNFOSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-16(6-2)12(8-13(16)21-7-3)18-14(20)11-9-17-15(22-11)10(4)19/h9-10,12-13,19H,5-8H2,1-4H3,(H,18,20)/t10-,12+,13+/m0/s1.
What are the key properties of N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide?
N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124877205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).