3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide

C12H18N4O2S — CID 99830070

IUPAC3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC(NC(C)=O)C1)c1nccs1
InChIInChI=1S/C12H18N4O2S/c1-3-10(11-13-4-5-19-11)15-12(18)16-6-9(7-16)14-8(2)17/h4-5,9-10H,3,6-7H2,1-2H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyWXNQYXFDVPGACQ-JTQLQIEISA-N
MW282.37 g/mol
LogP1.12
Rot. Bonds4

About 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide

3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide (PubChem CID 99830070) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide
PubChem CID99830070
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC(NC(C)=O)C1)c1nccs1
InChIInChI=1S/C12H18N4O2S/c1-3-10(11-13-4-5-19-11)15-12(18)16-6-9(7-16)14-8(2)17/h4-5,9-10H,3,6-7H2,1-2H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyWXNQYXFDVPGACQ-JTQLQIEISA-N
XLogP1.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide (CID 99830070) is 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide is CC[C@H](NC(=O)N1CC(NC(C)=O)C1)c1nccs1.
What is the InChIKey of 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide?
The InChIKey is WXNQYXFDVPGACQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-10(11-13-4-5-19-11)15-12(18)16-6-9(7-16)14-8(2)17/h4-5,9-10H,3,6-7H2,1-2H3,(H,14,17)(H,15,18)/t10-/m0/s1.
What are the key properties of 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide?
3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide is sourced from PubChem (CID 99830070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).