2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H17N3O2S2 — CID 652910

IUPAC2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCc1nnc(NC(=O)CSCc2ccccc2)s1
InChIInChI=1S/C14H17N3O2S2/c1-2-19-8-13-16-17-14(21-13)15-12(18)10-20-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,17,18)
InChIKeyOWDPQAYRQRHBNU-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.95
Rot. Bonds8

About 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 652910) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID652910
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCc1nnc(NC(=O)CSCc2ccccc2)s1
InChIInChI=1S/C14H17N3O2S2/c1-2-19-8-13-16-17-14(21-13)15-12(18)10-20-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,17,18)
InChIKeyOWDPQAYRQRHBNU-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 652910) is 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCOCc1nnc(NC(=O)CSCc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OWDPQAYRQRHBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-19-8-13-16-17-14(21-13)15-12(18)10-20-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,17,18).
What are the key properties of 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 652910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).