4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

C16H21N3O2S — CID 1086877

IUPAC4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C(CC)CC)s2)cc1
InChIInChI=1S/C16H21N3O2S/c1-4-11(5-2)15-18-19-16(22-15)17-14(20)12-7-9-13(10-8-12)21-6-3/h7-11H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyJARLOPBTDQGLSB-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.09
Rot. Bonds7

About 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1086877) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1086877
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(C(CC)CC)s2)cc1
InChIInChI=1S/C16H21N3O2S/c1-4-11(5-2)15-18-19-16(22-15)17-14(20)12-7-9-13(10-8-12)21-6-3/h7-11H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyJARLOPBTDQGLSB-UHFFFAOYSA-N
XLogP4.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide
CID 17257379
4-(2-ethylbutanoylamino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17309269
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
4-ethoxy-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100763253
2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1086877) is 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCOc1ccc(C(=O)Nc2nnc(C(CC)CC)s2)cc1.
What is the InChIKey of 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JARLOPBTDQGLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-11(5-2)15-18-19-16(22-15)17-14(20)12-7-9-13(10-8-12)21-6-3/h7-11H,4-6H2,1-3H3,(H,17,19,20).
What are the key properties of 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 319.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1086877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).