2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide

C11H17N3OS — CID 119874151

IUPAC2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide
SMILESCc1csc(C2(NC(=O)C(C)N)CCC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-10(13-7)11(4-3-5-11)14-9(15)8(2)12/h6,8H,3-5,12H2,1-2H3,(H,14,15)
InChIKeyJDVKOJISIOVESY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.29
Rot. Bonds3

About 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide (PubChem CID 119874151) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide
PubChem CID119874151
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide
SMILESCc1csc(C2(NC(=O)C(C)N)CCC2)n1
InChIInChI=1S/C11H17N3OS/c1-7-6-16-10(13-7)11(4-3-5-11)14-9(15)8(2)12/h6,8H,3-5,12H2,1-2H3,(H,14,15)
InChIKeyJDVKOJISIOVESY-UHFFFAOYSA-N
XLogP1.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide?
The IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide (CID 119874151) is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide?
The canonical SMILES for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide is Cc1csc(C2(NC(=O)C(C)N)CCC2)n1.
What is the InChIKey of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide?
The InChIKey is JDVKOJISIOVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-6-16-10(13-7)11(4-3-5-11)14-9(15)8(2)12/h6,8H,3-5,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide?
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide has a molecular weight of 239.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]propanamide is sourced from PubChem (CID 119874151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).