N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide

C17H22N4O2S — CID 17154580

IUPACN-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
SMILESCCC(CC)c1nnc(NC(=O)CCNC(=O)c2ccccc2)s1
InChIInChI=1S/C17H22N4O2S/c1-3-12(4-2)16-20-21-17(24-16)19-14(22)10-11-18-15(23)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,23)(H,19,21,22)
InChIKeySCMYUPFXWIYDAY-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.20
Rot. Bonds8

About N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide

N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide (PubChem CID 17154580) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
PubChem CID17154580
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
SMILESCCC(CC)c1nnc(NC(=O)CCNC(=O)c2ccccc2)s1
InChIInChI=1S/C17H22N4O2S/c1-3-12(4-2)16-20-21-17(24-16)19-14(22)10-11-18-15(23)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,23)(H,19,21,22)
InChIKeySCMYUPFXWIYDAY-UHFFFAOYSA-N
XLogP3.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide with MolForge

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Related Compounds

N-[4-oxo-4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 24668127
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642
3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17226256
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
N-[3-[[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 17154643
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196914
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 16551275
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide
CID 17257379
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide (CID 17154580) is N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide is CCC(CC)c1nnc(NC(=O)CCNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The InChIKey is SCMYUPFXWIYDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-12(4-2)16-20-21-17(24-16)19-14(22)10-11-18-15(23)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,23)(H,19,21,22).
What are the key properties of N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide has a molecular weight of 346.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 17154580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).