1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide

C13H21N3O3S — CID 106381232

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C13H21N3O3S/c1-4-19-9-5-13(14,12(9,2)3)10(17)15-6-8-7-20-11(18)16-8/h7,9H,4-6,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJIFJIFJXJZRWMB-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.59
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 106381232) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
PubChem CID106381232
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCc2csc(=O)[nH]2)C1(C)C
InChIInChI=1S/C13H21N3O3S/c1-4-19-9-5-13(14,12(9,2)3)10(17)15-6-8-7-20-11(18)16-8/h7,9H,4-6,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJIFJIFJXJZRWMB-UHFFFAOYSA-N
XLogP0.59
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclobutane-1-carboxamide
CID 105055923
1-amino-3-ethoxy-2,2-dimethyl-N-(5-methylsulfanylpentyl)cyclobutane-1-carboxamide
CID 105909680
6-amino-7,7-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 106381177
7-amino-8,8-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106381309
4-[[(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381911
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
CID 113639784
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 113639847
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944
1-amino-3-ethoxy-2,2-dimethyl-N-(3-methylsulfanylpropyl)cyclobutane-1-carboxamide
CID 114829308
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)cyclobutane-1-carboxamide
CID 114829310
1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 114829634
1-amino-3-ethoxy-2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclobutane-1-carboxamide
CID 114829643

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide (CID 106381232) is 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCc2csc(=O)[nH]2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is JIFJIFJXJZRWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-19-9-5-13(14,12(9,2)3)10(17)15-6-8-7-20-11(18)16-8/h7,9H,4-6,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106381232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).