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

C5H7N3O2S — CID 63576253

IUPAC4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CO)cs1
InChIInChI=1S/C5H7N3O2S/c6-8-4(10)5-7-3(1-9)2-11-5/h2,9H,1,6H2,(H,8,10)
InChIKeyQIXCWLKEXSJGDS-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.76
Rot. Bonds2

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

4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63576253) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63576253
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CO)cs1
InChIInChI=1S/C5H7N3O2S/c6-8-4(10)5-7-3(1-9)2-11-5/h2,9H,1,6H2,(H,8,10)
InChIKeyQIXCWLKEXSJGDS-UHFFFAOYSA-N
XLogP-0.76
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide (CID 63576253) is 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CO)cs1.
What is the InChIKey of 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is QIXCWLKEXSJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c6-8-4(10)5-7-3(1-9)2-11-5/h2,9H,1,6H2,(H,8,10).
What are the key properties of 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide?
4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 173.20 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63576253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).