2-tert-butyl-1,3-thiazole-5-carbohydrazide

C8H13N3OS — CID 82423621

IUPAC2-tert-butyl-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1ncc(C(=O)NN)s1
InChIInChI=1S/C8H13N3OS/c1-8(2,3)7-10-4-5(13-7)6(12)11-9/h4H,9H2,1-3H3,(H,11,12)
InChIKeySGSCJRGSTPSCJD-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.04
Rot. Bonds1

About 2-tert-butyl-1,3-thiazole-5-carbohydrazide

2-tert-butyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82423621) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-tert-butyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyl-1,3-thiazole-5-carbohydrazide
PubChem CID82423621
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-tert-butyl-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1ncc(C(=O)NN)s1
InChIInChI=1S/C8H13N3OS/c1-8(2,3)7-10-4-5(13-7)6(12)11-9/h4H,9H2,1-3H3,(H,11,12)
InChIKeySGSCJRGSTPSCJD-UHFFFAOYSA-N
XLogP1.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-tert-butyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-tert-butyl-1,3-thiazole-5-carbohydrazide (CID 82423621) is 2-tert-butyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-tert-butyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-tert-butyl-1,3-thiazole-5-carbohydrazide is CC(C)(C)c1ncc(C(=O)NN)s1.
What is the InChIKey of 2-tert-butyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is SGSCJRGSTPSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-8(2,3)7-10-4-5(13-7)6(12)11-9/h4H,9H2,1-3H3,(H,11,12).
What are the key properties of 2-tert-butyl-1,3-thiazole-5-carbohydrazide?
2-tert-butyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 199.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82423621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).