2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide

C7H10ClN3OS — CID 131066900

IUPAC2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
SMILESCc1nnsc1CNC(=O)C(C)Cl
InChIInChI=1S/C7H10ClN3OS/c1-4(8)7(12)9-3-6-5(2)10-11-13-6/h4H,3H2,1-2H3,(H,9,12)
InChIKeyMYTGXFMDBCZFPF-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.09
Rot. Bonds3

About 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide

2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide (PubChem CID 131066900) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
PubChem CID131066900
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide
SMILESCc1nnsc1CNC(=O)C(C)Cl
InChIInChI=1S/C7H10ClN3OS/c1-4(8)7(12)9-3-6-5(2)10-11-13-6/h4H,3H2,1-2H3,(H,9,12)
InChIKeyMYTGXFMDBCZFPF-UHFFFAOYSA-N
XLogP1.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide 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 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide (CID 131066900) is 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide is Cc1nnsc1CNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
The InChIKey is MYTGXFMDBCZFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-4(8)7(12)9-3-6-5(2)10-11-13-6/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide?
2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide has a molecular weight of 219.70 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylthiadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 131066900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).