1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide

C14H23N3O2S — CID 114829358

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)c2nccs2)C1(C)C
InChIInChI=1S/C14H23N3O2S/c1-5-19-10-8-14(15,13(10,3)4)12(18)17-9(2)11-16-6-7-20-11/h6-7,9-10H,5,8,15H2,1-4H3,(H,17,18)
InChIKeyREHNBDJEEYDDAM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.85
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 114829358) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID114829358
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)c2nccs2)C1(C)C
InChIInChI=1S/C14H23N3O2S/c1-5-19-10-8-14(15,13(10,3)4)12(18)17-9(2)11-16-6-7-20-11/h6-7,9-10H,5,8,15H2,1-4H3,(H,17,18)
InChIKeyREHNBDJEEYDDAM-UHFFFAOYSA-N
XLogP1.85
TPSA77.24 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114829359
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003
1-amino-N-(1,1-dimethoxypropan-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829345
1-amino-3-ethoxy-2,2-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 114828245
1-amino-3-ethoxy-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114830086
6-amino-7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946165
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 114827773
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719
1-(N'-hydroxycarbamimidoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 77045292
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide
CID 114829707

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (CID 114829358) is 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC(C)c2nccs2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is REHNBDJEEYDDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-19-10-8-14(15,13(10,3)4)12(18)17-9(2)11-16-6-7-20-11/h6-7,9-10H,5,8,15H2,1-4H3,(H,17,18).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 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-[1-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114829358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).