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

C15H25N3O2S — CID 114829359

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)c2nc(C)cs2)C1(C)C
InChIInChI=1S/C15H25N3O2S/c1-6-20-11-7-15(16,14(11,4)5)13(19)18-10(3)12-17-9(2)8-21-12/h8,10-11H,6-7,16H2,1-5H3,(H,18,19)
InChIKeyITIXHJMHBGPWFV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.16
Rot. Bonds5

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

1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 114829359) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID114829359
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC(C)c2nc(C)cs2)C1(C)C
InChIInChI=1S/C15H25N3O2S/c1-6-20-11-7-15(16,14(11,4)5)13(19)18-10(3)12-17-9(2)8-21-12/h8,10-11H,6-7,16H2,1-5H3,(H,18,19)
InChIKeyITIXHJMHBGPWFV-UHFFFAOYSA-N
XLogP2.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide (CID 114829359) is 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC(C)c2nc(C)cs2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is ITIXHJMHBGPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-6-20-11-7-15(16,14(11,4)5)13(19)18-10(3)12-17-9(2)8-21-12/h8,10-11H,6-7,16H2,1-5H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.16, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114829359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).