4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C14H17N3OS — CID 9109769

IUPAC4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(CC)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-3-5-12-16-17-14(19-12)15-13(18)11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyJJGFRYLTDMSOCU-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.31
Rot. Bonds5

About 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 9109769) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID9109769
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(CC)cc2)s1
InChIInChI=1S/C14H17N3OS/c1-3-5-12-16-17-14(19-12)15-13(18)11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyJJGFRYLTDMSOCU-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24648084
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 43045932
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410337
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34112252
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 9109769) is 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(CC)cc2)s1.
What is the InChIKey of 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JJGFRYLTDMSOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-5-12-16-17-14(19-12)15-13(18)11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3,(H,15,17,18).
What are the key properties of 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 275.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 9109769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).