2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide

C17H14N6O5S — CID 3837233

IUPAC2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(Nc2ccccc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N6O5S/c1-10-15(29-17(18-10)19-11-5-3-2-4-6-11)16(24)21-20-13-8-7-12(22(25)26)9-14(13)23(27)28/h2-9,20H,1H3,(H,18,19)(H,21,24)
InChIKeyNBURCQUYRPUOQB-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.77
Rot. Bonds7

About 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide

2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 3837233) has the molecular formula C17H14N6O5S and a molecular weight of 414.40 g/mol. Its IUPAC name is 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID3837233
Molecular FormulaC17H14N6O5S
Molecular Weight414.40 g/mol
Exact Mass414.07
IUPAC Name2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(Nc2ccccc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C17H14N6O5S/c1-10-15(29-17(18-10)19-11-5-3-2-4-6-11)16(24)21-20-13-8-7-12(22(25)26)9-14(13)23(27)28/h2-9,20H,1H3,(H,18,19)(H,21,24)
InChIKeyNBURCQUYRPUOQB-UHFFFAOYSA-N
XLogP3.77
TPSA152.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

2-(4-fluoroanilino)-4-methyl-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30142383
4-methyl-2-(3-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 23791669
(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-chloro-3-nitrophenyl)methanone
CID 13151122
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
N'-(2,4-dinitrophenyl)-2-phenylquinoline-4-carbohydrazide
CID 3403486
N'-(2,4-dinitrophenyl)-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4731962
3-[4-methyl-2-(3-nitroanilino)-1,3-thiazol-5-yl]propanoic acid
CID 94777040
N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
CID 4507199
trisodium;2-[(2,4-dinitroanilino)carbamoyl]phenolate;N'-(2,4-dinitrophenyl)-2-hydroxybenzohydrazide;ethanolate;hydroxide
CID 158836873
N'-(2-chloro-4-nitrobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 46656729
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
(2,4-dinitrophenyl)carbamic acid
CID 154114547

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 3837233) is 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is Cc1nc(Nc2ccccc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is NBURCQUYRPUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O5S/c1-10-15(29-17(18-10)19-11-5-3-2-4-6-11)16(24)21-20-13-8-7-12(22(25)26)9-14(13)23(27)28/h2-9,20H,1H3,(H,18,19)(H,21,24).
What are the key properties of 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 414.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N'-(2,4-dinitrophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 3837233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).