N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C16H18ClN5O4S — CID 24682260

IUPACN'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C16H18ClN5O4S/c1-10-9-27-16(18-10)6-14(23)19-20-15(24)8-21(2)7-11-5-12(22(25)26)3-4-13(11)17/h3-5,9H,6-8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWLZVDUUAVVIXHC-UHFFFAOYSA-N
MW411.87 g/mol
LogP1.84
Rot. Bonds7

About N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 24682260) has the molecular formula C16H18ClN5O4S and a molecular weight of 411.87 g/mol. Its IUPAC name is N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID24682260
Molecular FormulaC16H18ClN5O4S
Molecular Weight411.87 g/mol
Exact Mass411.08
IUPAC NameN'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C16H18ClN5O4S/c1-10-9-27-16(18-10)6-14(23)19-20-15(24)8-21(2)7-11-5-12(22(25)26)3-4-13(11)17/h3-5,9H,6-8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWLZVDUUAVVIXHC-UHFFFAOYSA-N
XLogP1.84
TPSA117.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.84
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

2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43216548
N,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-nitroaniline
CID 133340497
2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
CID 78903075
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 17407249
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 78830728
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60704014
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24682256
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383
N-(1,3-benzodioxol-5-yl)-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetamide
CID 17412169
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 55443938
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 24682260) is N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NNC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)n1.
What is the InChIKey of N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is WLZVDUUAVVIXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O4S/c1-10-9-27-16(18-10)6-14(23)19-20-15(24)8-21(2)7-11-5-12(22(25)26)3-4-13(11)17/h3-5,9H,6-8H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 411.87 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 24682260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).