3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

C6H8ClN3OS — CID 82109465

IUPAC3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)CCCl)n1
InChIInChI=1S/C6H8ClN3OS/c1-4-8-6(12-10-4)9-5(11)2-3-7/h2-3H2,1H3,(H,8,9,10,11)
InChIKeyQMXVRWXFLXMLAZ-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.41
Rot. Bonds3

About 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 82109465) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID82109465
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)CCCl)n1
InChIInChI=1S/C6H8ClN3OS/c1-4-8-6(12-10-4)9-5(11)2-3-7/h2-3H2,1H3,(H,8,9,10,11)
InChIKeyQMXVRWXFLXMLAZ-UHFFFAOYSA-N
XLogP1.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Acetamido-3-Trichloromethyl-1,2,4-Thiadiazole
CID 12851600
3,3,3-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 132295509
5-Propionamido-3-Trichloromethyl-1,2,4-Thiadiazole
CID 12851605
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 20719842
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688984
N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688989
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide
CID 67953665
2,2-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 108463159
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 117710723
N-(3-ethyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130009372
N-[3-(chloromethyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 139991507

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (CID 82109465) is 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is Cc1nsc(NC(=O)CCCl)n1.
What is the InChIKey of 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is QMXVRWXFLXMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-4-8-6(12-10-4)9-5(11)2-3-7/h2-3H2,1H3,(H,8,9,10,11).
What are the key properties of 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 205.67 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 82109465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).