4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

C11H11BrN6O2S — CID 1139988

IUPAC4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20)
InChIKeyIVYJAWKIYYUZAU-UHFFFAOYSA-N
MW371.22 g/mol
LogP0.53
Rot. Bonds4

About 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (PubChem CID 1139988) has the molecular formula C11H11BrN6O2S and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
PubChem CID1139988
Molecular FormulaC11H11BrN6O2S
Molecular Weight371.22 g/mol
Exact Mass369.98
IUPAC Name4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20)
InChIKeyIVYJAWKIYYUZAU-UHFFFAOYSA-N
XLogP0.53
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-chlorophenyl)carbonyl]-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetohydrazide
CID 864615
4-bromo-N'-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1014782
N,N-dimethylformamide;4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 16196117
2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
CID 2460544
4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 3662906
2-(4-Bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53581382
2-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 8021921
N'-[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-bromobenzohydrazide
CID 16280209
2-(4-Bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 72000865
(2S)-2-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 97571010
(2R)-2-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 97571011
4-Fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide
CID 107459058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (CID 1139988) is 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is Cn1nnnc1SCC(=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is IVYJAWKIYYUZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20).
What are the key properties of 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 371.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 1139988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).