N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide

C14H11BrN2O2S — CID 9479090

IUPACN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(Br)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H11BrN2O2S/c15-11-6-3-10(4-7-11)5-8-13(18)16-17-14(19)12-2-1-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-5+
InChIKeyURVMUELGFBFODN-VMPITWQZSA-N
MW351.23 g/mol
LogP2.98
Rot. Bonds3

About N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide (PubChem CID 9479090) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
PubChem CID9479090
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC NameN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(Br)cc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H11BrN2O2S/c15-11-6-3-10(4-7-11)5-8-13(18)16-17-14(19)12-2-1-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-5+
InChIKeyURVMUELGFBFODN-VMPITWQZSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 917715
N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 3315853
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475460
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 1128210
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
3-[3-chloro-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73038212
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11652550

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide (CID 9479090) is N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide is O=C(/C=C/c1ccc(Br)cc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The InChIKey is URVMUELGFBFODN-VMPITWQZSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c15-11-6-3-10(4-7-11)5-8-13(18)16-17-14(19)12-2-1-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-5+.
What are the key properties of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide has a molecular weight of 351.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9479090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).