N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C8H10ClN3O2S — CID 7131456

IUPACN'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CCl)n1
InChIInChI=1S/C8H10ClN3O2S/c1-5-4-15-8(10-5)2-6(13)11-12-7(14)3-9/h4H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyHGKVIUVUOSWVEB-UHFFFAOYSA-N
MW247.71 g/mol
LogP0.38
Rot. Bonds3

About N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 7131456) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID7131456
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC NameN'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CCl)n1
InChIInChI=1S/C8H10ClN3O2S/c1-5-4-15-8(10-5)2-6(13)11-12-7(14)3-9/h4H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyHGKVIUVUOSWVEB-UHFFFAOYSA-N
XLogP0.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 7131456) is N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NNC(=O)CCl)n1.
What is the InChIKey of N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is HGKVIUVUOSWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c1-5-4-15-8(10-5)2-6(13)11-12-7(14)3-9/h4H,2-3H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 247.71 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 7131456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).