2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C19H19N3O2S2 — CID 39910044

IUPAC2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-2-25-19-22-21-18(26-19)20-16(23)13-24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,21,23)
InChIKeyWQHJQGDLNFCGGA-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.39
Rot. Bonds8

About 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 39910044) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID39910044
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-2-25-19-22-21-18(26-19)20-16(23)13-24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,21,23)
InChIKeyWQHJQGDLNFCGGA-UHFFFAOYSA-N
XLogP4.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641026
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7920097
(2R)-2-benzylsulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100504993
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
CID 4144657
2-(4-bromophenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1245551
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 100754154
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9458753
2-(2-anilino-1,3-thiazol-4-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 30940480
N-[(2S,3S)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 8927054
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 39910044) is 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCSc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WQHJQGDLNFCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-2-25-19-22-21-18(26-19)20-16(23)13-24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,21,23).
What are the key properties of 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 39910044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).