N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide

C12H17BrN2O2S — CID 25226349

IUPACN'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCCCCBr)s1
InChIInChI=1S/C12H17BrN2O2S/c1-9-6-7-10(18-9)12(17)15-14-11(16)5-3-2-4-8-13/h6-7H,2-5,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyUJOLQVYUTXMPKP-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.77
Rot. Bonds6

About N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide

N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide (PubChem CID 25226349) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide
PubChem CID25226349
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCCCCBr)s1
InChIInChI=1S/C12H17BrN2O2S/c1-9-6-7-10(18-9)12(17)15-14-11(16)5-3-2-4-8-13/h6-7H,2-5,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyUJOLQVYUTXMPKP-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Bromothiophene-2-carbohydrazide
CID 843260
Thiophene-2-carbohydrazide
CID 73098
4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 2438343
2-Thiophenecarboxylic acid, 2-hexadecylhydrazide
CID 139035087
N''-butylthiophene-2-carbohydrazide
CID 142329690
5-Bromothiophene-2-carbohydrazide
CID 2063863
5-Methylthiophene-2-carbohydrazide
CID 2760085
2-Thiophenecarboxylic acid, 2-(1-methylethyl)hydrazide
CID 59642166
5-Ethylthiophene-2-carbohydrazide
CID 2758912
N'-octadecylthiophene-2-carbohydrazide
CID 178303720
N'-heptadecylthiophene-2-carbohydrazide
CID 178304418
N'-dodecylthiophene-2-carbohydrazide
CID 178304431

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide (CID 25226349) is N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)CCCCCBr)s1.
What is the InChIKey of N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide?
The InChIKey is UJOLQVYUTXMPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-9-6-7-10(18-9)12(17)15-14-11(16)5-3-2-4-8-13/h6-7H,2-5,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide?
N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide has a molecular weight of 333.25 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 25226349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).