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

C14H10BrN3O2S — CID 1037907

IUPACN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccco1
InChIInChI=1S/C14H10BrN3O2S/c15-10-5-3-9(4-6-10)11-8-21-14(16-11)18-17-13(19)12-2-1-7-20-12/h1-8H,(H,16,18)(H,17,19)
InChIKeyMAPXRAPQHDKUQF-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.92
Rot. Bonds4

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

N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide (PubChem CID 1037907) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
PubChem CID1037907
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
SMILESO=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccco1
InChIInChI=1S/C14H10BrN3O2S/c15-10-5-3-9(4-6-10)11-8-21-14(16-11)18-17-13(19)12-2-1-7-20-12/h1-8H,(H,16,18)(H,17,19)
InChIKeyMAPXRAPQHDKUQF-UHFFFAOYSA-N
XLogP3.92
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide (CID 1037907) is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide is O=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccco1.
What is the InChIKey of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
The InChIKey is MAPXRAPQHDKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c15-10-5-3-9(4-6-10)11-8-21-14(16-11)18-17-13(19)12-2-1-7-20-12/h1-8H,(H,16,18)(H,17,19).
What are the key properties of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide?
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide has a molecular weight of 364.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide is sourced from PubChem (CID 1037907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).