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

C21H20N4OS2 — CID 20933046

IUPACN-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESCCn1cc(Cc2nnc(NC(=O)CSc3ccccc3)s2)c2ccccc21
InChIInChI=1S/C21H20N4OS2/c1-2-25-13-15(17-10-6-7-11-18(17)25)12-20-23-24-21(28-20)22-19(26)14-27-16-8-4-3-5-9-16/h3-11,13H,2,12,14H2,1H3,(H,22,24,26)
InChIKeyLAGDXNLZCVEKGE-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.83
Rot. Bonds7

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

N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide (PubChem CID 20933046) has the molecular formula C21H20N4OS2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
PubChem CID20933046
Molecular FormulaC21H20N4OS2
Molecular Weight408.55 g/mol
Exact Mass408.11
IUPAC NameN-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESCCn1cc(Cc2nnc(NC(=O)CSc3ccccc3)s2)c2ccccc21
InChIInChI=1S/C21H20N4OS2/c1-2-25-13-15(17-10-6-7-11-18(17)25)12-20-23-24-21(28-20)22-19(26)14-27-16-8-4-3-5-9-16/h3-11,13H,2,12,14H2,1H3,(H,22,24,26)
InChIKeyLAGDXNLZCVEKGE-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933044
ethyl 2-[5-[(2-phenylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665313
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933068
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-nitrophenyl)sulfanylacetamide
CID 16547326
2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933053
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide (CID 20933046) is N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide is CCn1cc(Cc2nnc(NC(=O)CSc3ccccc3)s2)c2ccccc21.
What is the InChIKey of N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is LAGDXNLZCVEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS2/c1-2-25-13-15(17-10-6-7-11-18(17)25)12-20-23-24-21(28-20)22-19(26)14-27-16-8-4-3-5-9-16/h3-11,13H,2,12,14H2,1H3,(H,22,24,26).
What are the key properties of N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide?
N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 408.55 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 20933046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).