N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide

C17H14ClN3O2S2 — CID 2163014

IUPACN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H14ClN3O2S2/c18-12-6-8-13(9-7-12)23-10-16-20-21-17(25-16)19-15(22)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21,22)
InChIKeyHCXDMPQALHNSEM-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.50
Rot. Bonds7

About N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide (PubChem CID 2163014) has the molecular formula C17H14ClN3O2S2 and a molecular weight of 391.91 g/mol. Its IUPAC name is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
PubChem CID2163014
Molecular FormulaC17H14ClN3O2S2
Molecular Weight391.91 g/mol
Exact Mass391.02
IUPAC NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H14ClN3O2S2/c18-12-6-8-13(9-7-12)23-10-16-20-21-17(25-16)19-15(22)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21,22)
InChIKeyHCXDMPQALHNSEM-UHFFFAOYSA-N
XLogP4.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide (CID 2163014) is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is HCXDMPQALHNSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S2/c18-12-6-8-13(9-7-12)23-10-16-20-21-17(25-16)19-15(22)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21,22).
What are the key properties of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 391.91 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 2163014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).