N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide

C14H10N4O4S — CID 25096998

IUPACN'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1
InChIInChI=1S/C14H10N4O4S/c19-13(12-2-1-7-22-12)16-17-14-15-11(8-23-14)9-3-5-10(6-4-9)18(20)21/h1-8H,(H,15,17)(H,16,19)
InChIKeyOLLOKMKAUJSLBO-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.07
Rot. Bonds5

About N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide

N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide (PubChem CID 25096998) has the molecular formula C14H10N4O4S and a molecular weight of 330.33 g/mol. Its IUPAC name is N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
PubChem CID25096998
Molecular FormulaC14H10N4O4S
Molecular Weight330.33 g/mol
Exact Mass330.04
IUPAC NameN'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1
InChIInChI=1S/C14H10N4O4S/c19-13(12-2-1-7-22-12)16-17-14-15-11(8-23-14)9-3-5-10(6-4-9)18(20)21/h1-8H,(H,15,17)(H,16,19)
InChIKeyOLLOKMKAUJSLBO-UHFFFAOYSA-N
XLogP3.07
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carbohydrazide;hydrobromide
CID 71311862
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 19176230
[2-methoxy-4-[(Z)-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126067451
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide
CID 72698043
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-nitro-1H-indole-2-carbohydrazide
CID 11976018
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1208686
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 4602162

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide (CID 25096998) is N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide is O=C(NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1.
What is the InChIKey of N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
The InChIKey is OLLOKMKAUJSLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4S/c19-13(12-2-1-7-22-12)16-17-14-15-11(8-23-14)9-3-5-10(6-4-9)18(20)21/h1-8H,(H,15,17)(H,16,19).
What are the key properties of N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide has a molecular weight of 330.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide is sourced from PubChem (CID 25096998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).