N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide

C13H19N3OS — CID 119874183

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide
SMILESCc1csc(C2(NC(=O)C3CCNC3)CCC2)n1
InChIInChI=1S/C13H19N3OS/c1-9-8-18-12(15-9)13(4-2-5-13)16-11(17)10-3-6-14-7-10/h8,10,14H,2-7H2,1H3,(H,16,17)
InChIKeyFYMWMLKYIGLSDU-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.56
Rot. Bonds3

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

N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide (PubChem CID 119874183) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide
PubChem CID119874183
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide
SMILESCc1csc(C2(NC(=O)C3CCNC3)CCC2)n1
InChIInChI=1S/C13H19N3OS/c1-9-8-18-12(15-9)13(4-2-5-13)16-11(17)10-3-6-14-7-10/h8,10,14H,2-7H2,1H3,(H,16,17)
InChIKeyFYMWMLKYIGLSDU-UHFFFAOYSA-N
XLogP1.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide (CID 119874183) is N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide is Cc1csc(C2(NC(=O)C3CCNC3)CCC2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide?
The InChIKey is FYMWMLKYIGLSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-8-18-12(15-9)13(4-2-5-13)16-11(17)10-3-6-14-7-10/h8,10,14H,2-7H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119874183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).