methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate

C8H11N3O3S2 — CID 63580308

IUPACmethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate
SMILESCOC(=O)CSCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H11N3O3S2/c1-14-6(12)4-15-2-5-3-16-8(10-5)7(13)11-9/h3H,2,4,9H2,1H3,(H,11,13)
InChIKeyIMUMZIVMVXIVKD-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.15
Rot. Bonds5

About methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate

methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate (PubChem CID 63580308) has the molecular formula C8H11N3O3S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate
PubChem CID63580308
Molecular FormulaC8H11N3O3S2
Molecular Weight261.33 g/mol
Exact Mass261.02
IUPAC Namemethyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate
SMILESCOC(=O)CSCc1csc(C(=O)NN)n1
InChIInChI=1S/C8H11N3O3S2/c1-14-6(12)4-15-2-5-3-16-8(10-5)7(13)11-9/h3H,2,4,9H2,1H3,(H,11,13)
InChIKeyIMUMZIVMVXIVKD-UHFFFAOYSA-N
XLogP0.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-4-isopropylthiazole-2-carbohydrazide
CID 44515496
4-Methyl-1,3-thiazole-2-carbohydrazide
CID 11228937
4-Ethyl-1,3-thiazole-2-carbohydrazide
CID 121308344
Ethane;2-methyl-1,3-thiazole-4-carbohydrazide
CID 145556970
Ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide
CID 158312972
Ethyl 2-[2-(2-methyl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoacetate
CID 177312512
tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate
CID 178112513
N'-acetyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetohydrazide
CID 8303537
Ethyl 2-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanylacetate
CID 9445268
2-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]acetohydrazide
CID 43236852
3-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]propanehydrazide
CID 43244797
4-[[3-Methoxypropyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55215201

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The IUPAC name of methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate (CID 63580308) is methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate is COC(=O)CSCc1csc(C(=O)NN)n1.
What is the InChIKey of methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
The InChIKey is IMUMZIVMVXIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S2/c1-14-6(12)4-15-2-5-3-16-8(10-5)7(13)11-9/h3H,2,4,9H2,1H3,(H,11,13).
What are the key properties of methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate?
methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate has a molecular weight of 261.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methylsulfanyl]acetate is sourced from PubChem (CID 63580308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).