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

C10H9N3OS — CID 821620

IUPAC2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H9N3OS/c14-9(12-10-13-11-7-15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14)
InChIKeyVRCPUIHHVMQIHP-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.72
Rot. Bonds3

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

2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 821620) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID821620
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H9N3OS/c14-9(12-10-13-11-7-15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14)
InChIKeyVRCPUIHHVMQIHP-UHFFFAOYSA-N
XLogP1.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonamide deriv., 8
CID 44520906
N-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 1227914
2-(3-Phenylpropionylamino)-1,3,4-thiadiazole-5-sulfonamide
CID 54430554
N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
2-phenyl-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]acetamide
CID 1395238
Methyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)acetate
CID 8438755
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 976753
2-phenyl-2-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2862025
2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71764827
2-phenyl-N-[5-(2-sulfanylideneethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 57149559
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 839901
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 821620) is 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1ccccc1)Nc1nncs1.
What is the InChIKey of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VRCPUIHHVMQIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-9(12-10-13-11-7-15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13,14).
What are the key properties of 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 219.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 821620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).