5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C15H12BrN5O4S — CID 78887642

IUPAC5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C15H12BrN5O4S/c16-11-4-3-10(25-11)14(24)19-15-18-8(7-26-15)6-12(22)20-21-13(23)9-2-1-5-17-9/h1-5,7,17H,6H2,(H,20,22)(H,21,23)(H,18,19,24)
InChIKeyDFNAJWZKLTZHIV-UHFFFAOYSA-N
MW438.26 g/mol
LogP2.08
Rot. Bonds5

About 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 78887642) has the molecular formula C15H12BrN5O4S and a molecular weight of 438.26 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID78887642
Molecular FormulaC15H12BrN5O4S
Molecular Weight438.26 g/mol
Exact Mass436.98
IUPAC Name5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C15H12BrN5O4S/c16-11-4-3-10(25-11)14(24)19-15-18-8(7-26-15)6-12(22)20-21-13(23)9-2-1-5-17-9/h1-5,7,17H,6H2,(H,20,22)(H,21,23)(H,18,19,24)
InChIKeyDFNAJWZKLTZHIV-UHFFFAOYSA-N
XLogP2.08
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.26
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78887055
N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 78886354
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
5-bromo-N-[4-[2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 99810261
5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 99810259
5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78886276
5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30189317
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 112795383
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 78887642) is 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NNC(=O)c1ccc[nH]1.
What is the InChIKey of 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is DFNAJWZKLTZHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O4S/c16-11-4-3-10(25-11)14(24)19-15-18-8(7-26-15)6-12(22)20-21-13(23)9-2-1-5-17-9/h1-5,7,17H,6H2,(H,20,22)(H,21,23)(H,18,19,24).
What are the key properties of 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 438.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78887642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).