2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide

C18H18N4OS2 — CID 2857899

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide
SMILESCC(Sc1nnc(N)s1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4OS2/c1-12(24-18-22-21-17(19)25-18)16(23)20-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H2,19,21)(H,20,23)
InChIKeyASYSSEFWYRIUEE-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.51
Rot. Bonds6

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide (PubChem CID 2857899) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide
PubChem CID2857899
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide
SMILESCC(Sc1nnc(N)s1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N4OS2/c1-12(24-18-22-21-17(19)25-18)16(23)20-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H2,19,21)(H,20,23)
InChIKeyASYSSEFWYRIUEE-UHFFFAOYSA-N
XLogP3.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide (CID 2857899) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide is CC(Sc1nnc(N)s1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide?
The InChIKey is ASYSSEFWYRIUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-12(24-18-22-21-17(19)25-18)16(23)20-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H2,19,21)(H,20,23).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide has a molecular weight of 370.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide is sourced from PubChem (CID 2857899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).