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

C11H10BrN5O2S2 — CID 2413596

IUPACN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C11H10BrN5O2S2/c12-7-3-1-6(2-4-7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19)
InChIKeyAKBHKDMXEFFTLC-UHFFFAOYSA-N
MW388.27 g/mol
LogP1.44
Rot. Bonds4

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

N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide (PubChem CID 2413596) has the molecular formula C11H10BrN5O2S2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide
PubChem CID2413596
Molecular FormulaC11H10BrN5O2S2
Molecular Weight388.27 g/mol
Exact Mass386.95
IUPAC NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C11H10BrN5O2S2/c12-7-3-1-6(2-4-7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19)
InChIKeyAKBHKDMXEFFTLC-UHFFFAOYSA-N
XLogP1.44
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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]-4-bromobenzohydrazide?
The IUPAC name of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide (CID 2413596) is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide.
What is the SMILES notation for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide?
The canonical SMILES for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide is Nc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide?
The InChIKey is AKBHKDMXEFFTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2S2/c12-7-3-1-6(2-4-7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19).
What are the key properties of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide?
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-bromobenzohydrazide has a molecular weight of 388.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 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]-4-bromobenzohydrazide is sourced from PubChem (CID 2413596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).