1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone

C10H7Cl2N3OS — CID 4292212

IUPAC1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
SMILES[H]/N=c1\sc(C(C)=O)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3OS/c1-5(16)9-14-15(10(13)17-9)8-4-6(11)2-3-7(8)12/h2-4,13H,1H3/b13-10-
InChIKeyRNGKSFZCRLJVJJ-RAXLEYEMSA-N
MW288.16 g/mol
LogP2.92
Rot. Bonds2

About 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone

1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone (PubChem CID 4292212) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
PubChem CID4292212
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone
SMILES[H]/N=c1\sc(C(C)=O)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3OS/c1-5(16)9-14-15(10(13)17-9)8-4-6(11)2-3-7(8)12/h2-4,13H,1H3/b13-10-
InChIKeyRNGKSFZCRLJVJJ-RAXLEYEMSA-N
XLogP2.92
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone (CID 4292212) is 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone is [H]/N=c1\sc(C(C)=O)nn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
The InChIKey is RNGKSFZCRLJVJJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c1-5(16)9-14-15(10(13)17-9)8-4-6(11)2-3-7(8)12/h2-4,13H,1H3/b13-10-.
What are the key properties of 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone?
1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone has a molecular weight of 288.16 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenyl)-5-imino-1,3,4-thiadiazol-2-yl]ethanone is sourced from PubChem (CID 4292212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).