N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C17H16N4OS2 — CID 122190467

IUPACN-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(-c2ccncc2)s1)NCc1ccccc1
InChIInChI=1S/C17H16N4OS2/c22-15(19-12-13-4-2-1-3-5-13)8-11-23-17-21-20-16(24-17)14-6-9-18-10-7-14/h1-7,9-10H,8,11-12H2,(H,19,22)
InChIKeyHPZRTUOUHUHDIK-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.40
Rot. Bonds7

About N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 122190467) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID122190467
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC NameN-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(-c2ccncc2)s1)NCc1ccccc1
InChIInChI=1S/C17H16N4OS2/c22-15(19-12-13-4-2-1-3-5-13)8-11-23-17-21-20-16(24-17)14-6-9-18-10-7-14/h1-7,9-10H,8,11-12H2,(H,19,22)
InChIKeyHPZRTUOUHUHDIK-UHFFFAOYSA-N
XLogP3.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Phenylpropyl)-4-[[(4R)-2-(3-pyridyl)thiazolidin-4-yl]carbonyl]piperazine
CID 10668473
N-(4-methylphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258949
N-Phenyl-2-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 3163619
N-benzyl-2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 122190379
N-(4-chlorophenyl)-2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190463
N-phenyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190466
N-[(2-chlorophenyl)methyl]-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190468
N-[(4-chlorophenyl)methyl]-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190469
N-(2-chlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190470
N-(4-chlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190471
N-(2,6-dichlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 122190472
N-(2,4-dichlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190473

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 122190467) is N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is O=C(CCSc1nnc(-c2ccncc2)s1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is HPZRTUOUHUHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c22-15(19-12-13-4-2-1-3-5-13)8-11-23-17-21-20-16(24-17)14-6-9-18-10-7-14/h1-7,9-10H,8,11-12H2,(H,19,22).
What are the key properties of N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 356.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 122190467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).