N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

C14H12BrN3O2S — CID 1128210

IUPACN-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
SMILESNNC(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1cccs1
InChIInChI=1S/C14H12BrN3O2S/c15-10-5-3-9(4-6-10)8-11(13(19)18-16)17-14(20)12-2-1-7-21-12/h1-8H,16H2,(H,17,20)(H,18,19)
InChIKeyWFBCTDHOBSETFR-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.27
Rot. Bonds4

About N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide (PubChem CID 1128210) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
PubChem CID1128210
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
SMILESNNC(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1cccs1
InChIInChI=1S/C14H12BrN3O2S/c15-10-5-3-9(4-6-10)8-11(13(19)18-16)17-14(20)12-2-1-7-21-12/h1-8H,16H2,(H,17,20)(H,18,19)
InChIKeyWFBCTDHOBSETFR-UHFFFAOYSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(3,4-dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 6062175
N-[1-(3,4-dimethoxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 4299332
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 3741390
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1365829
N-[(E)-1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 2266330
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 1366810
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479090
N-[(Z)-1-(4-bromophenyl)-3-oxo-3-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]anilino]prop-1-en-2-yl]benzamide
CID 23094788
N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide
CID 2883257
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
3-(4-bromophenyl)-2-thiophen-2-ylprop-2-enenitrile
CID 90809747
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide (CID 1128210) is N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is NNC(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1cccs1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
The InChIKey is WFBCTDHOBSETFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c15-10-5-3-9(4-6-10)8-11(13(19)18-16)17-14(20)12-2-1-7-21-12/h1-8H,16H2,(H,17,20)(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide?
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide has a molecular weight of 366.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1128210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).