N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C15H15N5OS2 — CID 2336906

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)s1
InChIInChI=1S/C15H15N5OS2/c1-2-13-19-20-15(23-13)18-12(21)9-22-14-16-8-11(17-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyUMOVQGOARSWXEP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.22
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 2336906) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID2336906
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)s1
InChIInChI=1S/C15H15N5OS2/c1-2-13-19-20-15(23-13)18-12(21)9-22-14-16-8-11(17-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyUMOVQGOARSWXEP-UHFFFAOYSA-N
XLogP3.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 2336906) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is UMOVQGOARSWXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-2-13-19-20-15(23-13)18-12(21)9-22-14-16-8-11(17-14)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,17)(H,18,20,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2336906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).