N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide

C11H9BrN4O2S2 — CID 43212689

IUPACN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide
SMILESNc1nnc(SCC(=O)NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H9BrN4O2S2/c12-7-4-2-1-3-6(7)9(18)14-8(17)5-19-11-16-15-10(13)20-11/h1-4H,5H2,(H2,13,15)(H,14,17,18)
InChIKeyDGMURAWCLPQKFG-UHFFFAOYSA-N
MW373.26 g/mol
LogP1.93
Rot. Bonds4

About N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide (PubChem CID 43212689) has the molecular formula C11H9BrN4O2S2 and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide
PubChem CID43212689
Molecular FormulaC11H9BrN4O2S2
Molecular Weight373.26 g/mol
Exact Mass371.94
IUPAC NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide
SMILESNc1nnc(SCC(=O)NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H9BrN4O2S2/c12-7-4-2-1-3-6(7)9(18)14-8(17)5-19-11-16-15-10(13)20-11/h1-4H,5H2,(H2,13,15)(H,14,17,18)
InChIKeyDGMURAWCLPQKFG-UHFFFAOYSA-N
XLogP1.93
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide?
The IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide (CID 43212689) is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide?
The canonical SMILES for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide is Nc1nnc(SCC(=O)NC(=O)c2ccccc2Br)s1.
What is the InChIKey of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide?
The InChIKey is DGMURAWCLPQKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2S2/c12-7-4-2-1-3-6(7)9(18)14-8(17)5-19-11-16-15-10(13)20-11/h1-4H,5H2,(H2,13,15)(H,14,17,18).
What are the key properties of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide?
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide has a molecular weight of 373.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-bromobenzamide is sourced from PubChem (CID 43212689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).