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

C12H21N3OS — CID 82432460

IUPAC2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(C(CC)CC)sc1C(=O)NN
InChIInChI=1S/C12H21N3OS/c1-4-7-9-10(11(16)15-13)17-12(14-9)8(5-2)6-3/h8H,4-7,13H2,1-3H3,(H,15,16)
InChIKeySCQKWCMFUSWXOX-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.60
Rot. Bonds6

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

2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82432460) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
PubChem CID82432460
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(C(CC)CC)sc1C(=O)NN
InChIInChI=1S/C12H21N3OS/c1-4-7-9-10(11(16)15-13)17-12(14-9)8(5-2)6-3/h8H,4-7,13H2,1-3H3,(H,15,16)
InChIKeySCQKWCMFUSWXOX-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.60
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-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide (CID 82432460) is 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide is CCCc1nc(C(CC)CC)sc1C(=O)NN.
What is the InChIKey of 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is SCQKWCMFUSWXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-7-9-10(11(16)15-13)17-12(14-9)8(5-2)6-3/h8H,4-7,13H2,1-3H3,(H,15,16).
What are the key properties of 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide?
2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 255.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82432460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).