4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

C7H11N3O2S2 — CID 63580853

IUPAC4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSCCO)cs1
InChIInChI=1S/C7H11N3O2S2/c8-10-6(12)7-9-5(4-14-7)3-13-2-1-11/h4,11H,1-3,8H2,(H,10,12)
InChIKeyJOXPFIUPHRZDET-UHFFFAOYSA-N
MW233.32 g/mol
LogP-0.03
Rot. Bonds5

About 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63580853) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63580853
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Name4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSCCO)cs1
InChIInChI=1S/C7H11N3O2S2/c8-10-6(12)7-9-5(4-14-7)3-13-2-1-11/h4,11H,1-3,8H2,(H,10,12)
InChIKeyJOXPFIUPHRZDET-UHFFFAOYSA-N
XLogP-0.03
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 63580853) is 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CSCCO)cs1.
What is the InChIKey of 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is JOXPFIUPHRZDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c8-10-6(12)7-9-5(4-14-7)3-13-2-1-11/h4,11H,1-3,8H2,(H,10,12).
What are the key properties of 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 233.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63580853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).