1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide

C9H11BrN2OS — CID 116847298

IUPAC1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2ccc(Br)s2)CC1
InChIInChI=1S/C9H11BrN2OS/c1-11-12-8(13)9(4-5-9)6-2-3-7(10)14-6/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyXQRXZJODZFHMSW-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.79
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide

1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide (PubChem CID 116847298) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide
PubChem CID116847298
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2ccc(Br)s2)CC1
InChIInChI=1S/C9H11BrN2OS/c1-11-12-8(13)9(4-5-9)6-2-3-7(10)14-6/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyXQRXZJODZFHMSW-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromothiophen-2-yl)oxolane-3-carboxylic acid
CID 83826143
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
methyl 2-(5-bromothiophen-2-yl)pyrrolidine-2-carboxylate
CID 115103355
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
N'-methyl-1-naphthalen-1-ylcyclopropane-1-carbohydrazide
CID 116847393
3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846336
methyl 2-[3-(5-bromothiophen-2-yl)oxetan-3-yl]acetate
CID 116873442
1-[3-(5-bromothiophen-2-yl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874687
3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 178130983
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33172291
N-[(5-bromothiophen-2-yl)methyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183015
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide (CID 116847298) is 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide is CNNC(=O)C1(c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide?
The InChIKey is XQRXZJODZFHMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c1-11-12-8(13)9(4-5-9)6-2-3-7(10)14-6/h2-3,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide?
1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide has a molecular weight of 275.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N'-methylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 116847298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).