1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide

C12H17N3O2S — CID 92633115

IUPAC1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCc2ncc(C)s2)C1
InChIInChI=1S/C12H17N3O2S/c1-8-5-14-11(18-8)3-4-13-12(17)10-6-15(7-10)9(2)16/h5,10H,3-4,6-7H2,1-2H3,(H,13,17)
InChIKeyQVFJIQZYAKUSEK-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.59
Rot. Bonds4

About 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide

1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide (PubChem CID 92633115) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide
PubChem CID92633115
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCc2ncc(C)s2)C1
InChIInChI=1S/C12H17N3O2S/c1-8-5-14-11(18-8)3-4-13-12(17)10-6-15(7-10)9(2)16/h5,10H,3-4,6-7H2,1-2H3,(H,13,17)
InChIKeyQVFJIQZYAKUSEK-UHFFFAOYSA-N
XLogP0.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide (CID 92633115) is 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCCc2ncc(C)s2)C1.
What is the InChIKey of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is QVFJIQZYAKUSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-5-14-11(18-8)3-4-13-12(17)10-6-15(7-10)9(2)16/h5,10H,3-4,6-7H2,1-2H3,(H,13,17).
What are the key properties of 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide?
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 92633115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).