4-propan-2-yl-1,3-thiazole-2-carbohydrazide

C7H11N3OS — CID 44515182

IUPAC4-propan-2-yl-1,3-thiazole-2-carbohydrazide
SMILESCC(C)c1csc(C(=O)NN)n1
InChIInChI=1S/C7H11N3OS/c1-4(2)5-3-12-7(9-5)6(11)10-8/h3-4H,8H2,1-2H3,(H,10,11)
InChIKeyJPFIHCSOFANISP-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.87
Rot. Bonds2

About 4-propan-2-yl-1,3-thiazole-2-carbohydrazide

4-propan-2-yl-1,3-thiazole-2-carbohydrazide (PubChem CID 44515182) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-propan-2-yl-1,3-thiazole-2-carbohydrazide
PubChem CID44515182
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-propan-2-yl-1,3-thiazole-2-carbohydrazide
SMILESCC(C)c1csc(C(=O)NN)n1
InChIInChI=1S/C7H11N3OS/c1-4(2)5-3-12-7(9-5)6(11)10-8/h3-4H,8H2,1-2H3,(H,10,11)
InChIKeyJPFIHCSOFANISP-UHFFFAOYSA-N
XLogP0.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.87
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 4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-propan-2-yl-1,3-thiazole-2-carbohydrazide (CID 44515182) is 4-propan-2-yl-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-propan-2-yl-1,3-thiazole-2-carbohydrazide is CC(C)c1csc(C(=O)NN)n1.
What is the InChIKey of 4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
The InChIKey is JPFIHCSOFANISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)5-3-12-7(9-5)6(11)10-8/h3-4H,8H2,1-2H3,(H,10,11).
What are the key properties of 4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
4-propan-2-yl-1,3-thiazole-2-carbohydrazide has a molecular weight of 185.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 44515182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).