4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide

C10H17N3OS — CID 82426688

IUPAC4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCCC(CC)c1nc(C)c(C(=O)NN)s1
InChIInChI=1S/C10H17N3OS/c1-4-7(5-2)10-12-6(3)8(15-10)9(14)13-11/h7H,4-5,11H2,1-3H3,(H,13,14)
InChIKeyQAJZCNBKIQZBGG-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.96
Rot. Bonds4

About 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide

4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 82426688) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide
PubChem CID82426688
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCCC(CC)c1nc(C)c(C(=O)NN)s1
InChIInChI=1S/C10H17N3OS/c1-4-7(5-2)10-12-6(3)8(15-10)9(14)13-11/h7H,4-5,11H2,1-3H3,(H,13,14)
InChIKeyQAJZCNBKIQZBGG-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.96
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-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide (CID 82426688) is 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide is CCC(CC)c1nc(C)c(C(=O)NN)s1.
What is the InChIKey of 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is QAJZCNBKIQZBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-7(5-2)10-12-6(3)8(15-10)9(14)13-11/h7H,4-5,11H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide?
4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 227.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentan-3-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82426688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).