2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol

C7H11BrN2OS — CID 82297708

IUPAC2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol
SMILESCC(O)(CNN)c1cc(Br)cs1
InChIInChI=1S/C7H11BrN2OS/c1-7(11,4-10-9)6-2-5(8)3-12-6/h2-3,10-11H,4,9H2,1H3
InChIKeyNNXOLFJQNIENAY-UHFFFAOYSA-N
MW251.15 g/mol
LogP1.18
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol

2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol (PubChem CID 82297708) has the molecular formula C7H11BrN2OS and a molecular weight of 251.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol
PubChem CID82297708
Molecular FormulaC7H11BrN2OS
Molecular Weight251.15 g/mol
Exact Mass249.98
IUPAC Name2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol
SMILESCC(O)(CNN)c1cc(Br)cs1
InChIInChI=1S/C7H11BrN2OS/c1-7(11,4-10-9)6-2-5(8)3-12-6/h2-3,10-11H,4,9H2,1H3
InChIKeyNNXOLFJQNIENAY-UHFFFAOYSA-N
XLogP1.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromothiophen-2-yl)pentan-3-ol
CID 58599650
4-bromo-2-tert-butylthiophene
CID 20594406
3-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135077
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
CID 115197588
(E)-4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-4-oxobut-2-enoic acid
CID 115177350
2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133068
4-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]aniline
CID 115212607
4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-3-hydroxybutanoic acid
CID 115123172
4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
CID 115149941
4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 115156184
3-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234386
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol (CID 82297708) is 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol is CC(O)(CNN)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol?
The InChIKey is NNXOLFJQNIENAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2OS/c1-7(11,4-10-9)6-2-5(8)3-12-6/h2-3,10-11H,4,9H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol?
2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol has a molecular weight of 251.15 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol is sourced from PubChem (CID 82297708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).