N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide

C19H16N4O4S — CID 27662809

IUPACN'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
SMILESCc1ccc(-c2nc(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C19H16N4O4S/c1-12-5-7-13(8-6-12)19-20-15(11-28-19)10-17(24)21-22-18(25)14-3-2-4-16(9-14)23(26)27/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyBNQVHKYWQXKHAA-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.03
Rot. Bonds5

About N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide

N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide (PubChem CID 27662809) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
PubChem CID27662809
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC NameN'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
SMILESCc1ccc(-c2nc(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C19H16N4O4S/c1-12-5-7-13(8-6-12)19-20-15(11-28-19)10-17(24)21-22-18(25)14-3-2-4-16(9-14)23(26)27/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyBNQVHKYWQXKHAA-UHFFFAOYSA-N
XLogP3.03
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.03
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

N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide
CID 29259935
3-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 17163934
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7216589
N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 78823652
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-propan-2-yloxybenzohydrazide
CID 24514393
1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
CID 86835778
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-nitrophenyl)acetamide
CID 51180014
N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9333305
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
CID 8573535

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide (CID 27662809) is N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide is Cc1ccc(-c2nc(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1.
What is the InChIKey of N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide?
The InChIKey is BNQVHKYWQXKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-12-5-7-13(8-6-12)19-20-15(11-28-19)10-17(24)21-22-18(25)14-3-2-4-16(9-14)23(26)27/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide?
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide has a molecular weight of 396.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 27662809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).