N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide

C16H13BrN4O2S2 — CID 18268677

IUPACN'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1nccn1-c1ccc(Br)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C16H13BrN4O2S2/c17-11-3-5-12(6-4-11)21-8-7-18-16(21)25-10-14(22)19-20-15(23)13-2-1-9-24-13/h1-9H,10H2,(H,19,22)(H,20,23)
InChIKeyQWPAPDUZCWFOFP-UHFFFAOYSA-N
MW437.34 g/mol
LogP3.25
Rot. Bonds5

About N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide

N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide (PubChem CID 18268677) has the molecular formula C16H13BrN4O2S2 and a molecular weight of 437.34 g/mol. Its IUPAC name is N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide
PubChem CID18268677
Molecular FormulaC16H13BrN4O2S2
Molecular Weight437.34 g/mol
Exact Mass435.97
IUPAC NameN'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1nccn1-c1ccc(Br)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C16H13BrN4O2S2/c17-11-3-5-12(6-4-11)21-8-7-18-16(21)25-10-14(22)19-20-15(23)13-2-1-9-24-13/h1-9H,10H2,(H,19,22)(H,20,23)
InChIKeyQWPAPDUZCWFOFP-UHFFFAOYSA-N
XLogP3.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 4808652
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 40684891
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24578282
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 5199833
N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 9479279
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
CID 18207204
4-bromo-N'-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 31421632
4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 9020841
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide (CID 18268677) is N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide is O=C(CSc1nccn1-c1ccc(Br)cc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide?
The InChIKey is QWPAPDUZCWFOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2S2/c17-11-3-5-12(6-4-11)21-8-7-18-16(21)25-10-14(22)19-20-15(23)13-2-1-9-24-13/h1-9H,10H2,(H,19,22)(H,20,23).
What are the key properties of N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide?
N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide has a molecular weight of 437.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 18268677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).