N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide

C16H12BrClN4O3S — CID 72698043

IUPACN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide
SMILESBr.O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11ClN4O3S.BrH/c17-11-7-5-10(6-8-11)13-9-25-16(18-13)20-19-15(22)12-3-1-2-4-14(12)21(23)24;/h1-9H,(H,18,20)(H,19,22);1H
InChIKeyIDRPHUXHROLMTR-UHFFFAOYSA-N
MW455.72 g/mol
LogP4.71
Rot. Bonds5

About N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide

N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide (PubChem CID 72698043) has the molecular formula C16H12BrClN4O3S and a molecular weight of 455.72 g/mol. Its IUPAC name is N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide.

Molecular Properties

Compound NameN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide
PubChem CID72698043
Molecular FormulaC16H12BrClN4O3S
Molecular Weight455.72 g/mol
Exact Mass453.95
IUPAC NameN'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide
SMILESBr.O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11ClN4O3S.BrH/c17-11-7-5-10(6-8-11)13-9-25-16(18-13)20-19-15(22)12-3-1-2-4-14(12)21(23)24;/h1-9H,(H,18,20)(H,19,22);1H
InChIKeyIDRPHUXHROLMTR-UHFFFAOYSA-N
XLogP4.71
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.72
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
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N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide?
The IUPAC name of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide (CID 72698043) is N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide.
What is the SMILES notation for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide?
The canonical SMILES for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide is Br.O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide?
The InChIKey is IDRPHUXHROLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3S.BrH/c17-11-7-5-10(6-8-11)13-9-25-16(18-13)20-19-15(22)12-3-1-2-4-14(12)21(23)24;/h1-9H,(H,18,20)(H,19,22);1H.
What are the key properties of N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide?
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide has a molecular weight of 455.72 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzohydrazide;hydrobromide is sourced from PubChem (CID 72698043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).