3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide

C10H18N4OS — CID 63840300

IUPAC3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
SMILESCc1ncsc1CN(C)C(C)CC(=O)NN
InChIInChI=1S/C10H18N4OS/c1-7(4-10(15)13-11)14(3)5-9-8(2)12-6-16-9/h6-7H,4-5,11H2,1-3H3,(H,13,15)
InChIKeyQXVUZJPYYUFMGC-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.65
Rot. Bonds5

About 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide

3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide (PubChem CID 63840300) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
PubChem CID63840300
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
SMILESCc1ncsc1CN(C)C(C)CC(=O)NN
InChIInChI=1S/C10H18N4OS/c1-7(4-10(15)13-11)14(3)5-9-8(2)12-6-16-9/h6-7H,4-5,11H2,1-3H3,(H,13,15)
InChIKeyQXVUZJPYYUFMGC-UHFFFAOYSA-N
XLogP0.65
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide?
The IUPAC name of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide (CID 63840300) is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide.
What is the SMILES notation for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide?
The canonical SMILES for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide is Cc1ncsc1CN(C)C(C)CC(=O)NN.
What is the InChIKey of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide?
The InChIKey is QXVUZJPYYUFMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(4-10(15)13-11)14(3)5-9-8(2)12-6-16-9/h6-7H,4-5,11H2,1-3H3,(H,13,15).
What are the key properties of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide?
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide has a molecular weight of 242.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide is sourced from PubChem (CID 63840300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).