N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide

C13H17N3O2S — CID 95828348

IUPACN-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CN(C(=O)C3CCC3)C2)cs1
InChIInChI=1S/C13H17N3O2S/c1-8(17)14-13-15-11(7-19-13)10-5-16(6-10)12(18)9-3-2-4-9/h7,9-10H,2-6H2,1H3,(H,14,15,17)
InChIKeyNEMLJDGXOZRWNY-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.83
Rot. Bonds3

About N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95828348) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID95828348
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CN(C(=O)C3CCC3)C2)cs1
InChIInChI=1S/C13H17N3O2S/c1-8(17)14-13-15-11(7-19-13)10-5-16(6-10)12(18)9-3-2-4-9/h7,9-10H,2-6H2,1H3,(H,14,15,17)
InChIKeyNEMLJDGXOZRWNY-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide (CID 95828348) is N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2CN(C(=O)C3CCC3)C2)cs1.
What is the InChIKey of N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NEMLJDGXOZRWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(17)14-13-15-11(7-19-13)10-5-16(6-10)12(18)9-3-2-4-9/h7,9-10H,2-6H2,1H3,(H,14,15,17).
What are the key properties of N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95828348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).