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

C13H14ClN3OS — CID 34107644

IUPAC2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-2-5-12-16-17-13(19-12)15-11(18)8-9-6-3-4-7-10(9)14/h3-4,6-7H,2,5,8H2,1H3,(H,15,17,18)
InChIKeyGBKJBMIFDVNHLK-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.33
Rot. Bonds5

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

2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 34107644) has the molecular formula C13H14ClN3OS and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID34107644
Molecular FormulaC13H14ClN3OS
Molecular Weight295.79 g/mol
Exact Mass295.05
IUPAC Name2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-2-5-12-16-17-13(19-12)15-11(18)8-9-6-3-4-7-10(9)14/h3-4,6-7H,2,5,8H2,1H3,(H,15,17,18)
InChIKeyGBKJBMIFDVNHLK-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[5-[4-[5-[3-(2-methylphenyl)-2-oxopropyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 159819478
N-[5-[4-[6-[[2-(2-chlorophenyl)acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 74982735
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
2-naphthalen-1-yl-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 55540384
1-[(2-chlorophenyl)methyl]-5-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 91938631
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
N-[5-[4-[5-[[2-(2-chlorophenyl)acetyl]amino]-2-pyridinyl]butyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 118218209
N-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-2-chlorobenzamide
CID 17193600
N-[5-[(5Z,7E)-5,8-diamino-8-[[2-(2-chlorophenyl)acetyl]amino]octa-5,7-dienyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 144641055
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 34107644) is 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cc2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GBKJBMIFDVNHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-2-5-12-16-17-13(19-12)15-11(18)8-9-6-3-4-7-10(9)14/h3-4,6-7H,2,5,8H2,1H3,(H,15,17,18).
What are the key properties of 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 295.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 34107644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).