2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C7H9Cl2N3OS — CID 19189341

IUPAC2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)C(Cl)Cl)s1
InChIInChI=1S/C7H9Cl2N3OS/c1-2-3-4-11-12-7(14-4)10-6(13)5(8)9/h5H,2-3H2,1H3,(H,10,12,13)
InChIKeyXJHLDWMORASYBC-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.23
Rot. Bonds4

About 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19189341) has the molecular formula C7H9Cl2N3OS and a molecular weight of 254.14 g/mol. Its IUPAC name is 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19189341
Molecular FormulaC7H9Cl2N3OS
Molecular Weight254.14 g/mol
Exact Mass252.98
IUPAC Name2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)C(Cl)Cl)s1
InChIInChI=1S/C7H9Cl2N3OS/c1-2-3-4-11-12-7(14-4)10-6(13)5(8)9/h5H,2-3H2,1H3,(H,10,12,13)
InChIKeyXJHLDWMORASYBC-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.23
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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 82109868
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
2-methyl-N-[5-[2-[2-[5-(2-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 74982466
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 40829981

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 19189341) is 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)C(Cl)Cl)s1.
What is the InChIKey of 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XJHLDWMORASYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3OS/c1-2-3-4-11-12-7(14-4)10-6(13)5(8)9/h5H,2-3H2,1H3,(H,10,12,13).
What are the key properties of 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 254.14 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19189341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).