N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C15H24N4O2S — CID 43056222

IUPACN'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(CC(C)C)C2CC2)n1
InChIInChI=1S/C15H24N4O2S/c1-10(2)7-19(12-4-5-12)8-14(21)18-17-13(20)6-15-16-11(3)9-22-15/h9-10,12H,4-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQFBAEWKRFJBXAG-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.26
Rot. Bonds7

About N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 43056222) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID43056222
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(CC(C)C)C2CC2)n1
InChIInChI=1S/C15H24N4O2S/c1-10(2)7-19(12-4-5-12)8-14(21)18-17-13(20)6-15-16-11(3)9-22-15/h9-10,12H,4-8H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQFBAEWKRFJBXAG-UHFFFAOYSA-N
XLogP1.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 43056222) is N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NNC(=O)CN(CC(C)C)C2CC2)n1.
What is the InChIKey of N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is QFBAEWKRFJBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10(2)7-19(12-4-5-12)8-14(21)18-17-13(20)6-15-16-11(3)9-22-15/h9-10,12H,4-8H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 324.45 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 43056222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).