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

C10H18N4OS — CID 63585046

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)Cc1csc(C)n1
InChIInChI=1S/C10H18N4OS/c1-4-9(10(15)13-11)14(3)5-8-6-16-7(2)12-8/h6,9H,4-5,11H2,1-3H3,(H,13,15)
InChIKeyDHOHIUMPELOURJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.65
Rot. Bonds5

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

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide (PubChem CID 63585046) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
PubChem CID63585046
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)Cc1csc(C)n1
InChIInChI=1S/C10H18N4OS/c1-4-9(10(15)13-11)14(3)5-8-6-16-7(2)12-8/h6,9H,4-5,11H2,1-3H3,(H,13,15)
InChIKeyDHOHIUMPELOURJ-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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Related Compounds

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55073872
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
CID 47455504
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824
2-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63585605
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide (CID 63585046) is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide is CCC(C(=O)NN)N(C)Cc1csc(C)n1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide?
The InChIKey is DHOHIUMPELOURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-9(10(15)13-11)14(3)5-8-6-16-7(2)12-8/h6,9H,4-5,11H2,1-3H3,(H,13,15).
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide?
2-[methyl-[(2-methyl-1,3-thiazol-4-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 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide is sourced from PubChem (CID 63585046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).