2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C10H8ClN3OS — CID 90670675

IUPAC2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nncs1
InChIInChI=1S/C10H8ClN3OS/c11-8-3-1-2-7(4-8)5-9(15)13-10-14-12-6-16-10/h1-4,6H,5H2,(H,13,14,15)
InChIKeyDKVAXQGRMWRKTF-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.37
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 90670675) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID90670675
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nncs1
InChIInChI=1S/C10H8ClN3OS/c11-8-3-1-2-7(4-8)5-9(15)13-10-14-12-6-16-10/h1-4,6H,5H2,(H,13,14,15)
InChIKeyDKVAXQGRMWRKTF-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71765040
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
2-(4-chlorophenyl)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 965762
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 976753
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1086939
2-(4-chlorophenyl)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 718901
3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155175
2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 647921
2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 903149
4-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 685127
JAN-GHE-5a013bed-11
CID 156907217

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 90670675) is 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1nncs1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DKVAXQGRMWRKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-8-3-1-2-7(4-8)5-9(15)13-10-14-12-6-16-10/h1-4,6H,5H2,(H,13,14,15).
What are the key properties of 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 253.71 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 90670675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).