2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide

C10H18N4OS — CID 79409328

IUPAC2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)Cc1cscn1
InChIInChI=1S/C10H18N4OS/c1-7(10(15)13-11)8(2)14(3)4-9-5-16-6-12-9/h5-8H,4,11H2,1-3H3,(H,13,15)
InChIKeyWXJVRKIHFDBSFH-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.59
Rot. Bonds5

About 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide

2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide (PubChem CID 79409328) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
PubChem CID79409328
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)Cc1cscn1
InChIInChI=1S/C10H18N4OS/c1-7(10(15)13-11)8(2)14(3)4-9-5-16-6-12-9/h5-8H,4,11H2,1-3H3,(H,13,15)
InChIKeyWXJVRKIHFDBSFH-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
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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Related Compounds

3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 94200145
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
CID 81012095
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 47076191
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide?
The IUPAC name of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide (CID 79409328) is 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide is CC(C(=O)NN)C(C)N(C)Cc1cscn1.
What is the InChIKey of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide?
The InChIKey is WXJVRKIHFDBSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(10(15)13-11)8(2)14(3)4-9-5-16-6-12-9/h5-8H,4,11H2,1-3H3,(H,13,15).
What are the key properties of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide?
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide has a molecular weight of 242.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 79409328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).