2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide

C14H17N5O2S3 — CID 9379612

IUPAC2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
SMILESCCNc1nnc(SCC(=O)Nc2ccccc2SCC(N)=O)s1
InChIInChI=1S/C14H17N5O2S3/c1-2-16-13-18-19-14(24-13)23-8-12(21)17-9-5-3-4-6-10(9)22-7-11(15)20/h3-6H,2,7-8H2,1H3,(H2,15,20)(H,16,18)(H,17,21)
InChIKeyIHJXAANXDXIZLY-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.28
Rot. Bonds9

About 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide

2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide (PubChem CID 9379612) has the molecular formula C14H17N5O2S3 and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
PubChem CID9379612
Molecular FormulaC14H17N5O2S3
Molecular Weight383.52 g/mol
Exact Mass383.05
IUPAC Name2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
SMILESCCNc1nnc(SCC(=O)Nc2ccccc2SCC(N)=O)s1
InChIInChI=1S/C14H17N5O2S3/c1-2-16-13-18-19-14(24-13)23-8-12(21)17-9-5-3-4-6-10(9)22-7-11(15)20/h3-6H,2,7-8H2,1H3,(H2,15,20)(H,16,18)(H,17,21)
InChIKeyIHJXAANXDXIZLY-UHFFFAOYSA-N
XLogP2.28
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide with MolForge

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Related Compounds

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 27987722
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 52546899
N-(2,5-difluorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51236767
2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 2581879
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
N-[(2,3-dimethylphenyl)carbamoyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9475779
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-(1,2-diphenylethyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18092540
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27987112
N-(2-butan-2-ylphenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17427354
N-(2-acetylphenyl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2608076
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide (CID 9379612) is 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide is CCNc1nnc(SCC(=O)Nc2ccccc2SCC(N)=O)s1.
What is the InChIKey of 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide?
The InChIKey is IHJXAANXDXIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S3/c1-2-16-13-18-19-14(24-13)23-8-12(21)17-9-5-3-4-6-10(9)22-7-11(15)20/h3-6H,2,7-8H2,1H3,(H2,15,20)(H,16,18)(H,17,21).
What are the key properties of 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide?
2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide has a molecular weight of 383.52 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9379612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).