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

C9H16N4OS — CID 63585043

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
SMILESCc1nc(CN(C)C(C)C(=O)NN)cs1
InChIInChI=1S/C9H16N4OS/c1-6(9(14)12-10)13(3)4-8-5-15-7(2)11-8/h5-6H,4,10H2,1-3H3,(H,12,14)
InChIKeyHMXFOJTURXWQLZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.26
Rot. Bonds4

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

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide (PubChem CID 63585043) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
PubChem CID63585043
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
SMILESCc1nc(CN(C)C(C)C(=O)NN)cs1
InChIInChI=1S/C9H16N4OS/c1-6(9(14)12-10)13(3)4-8-5-15-7(2)11-8/h5-6H,4,10H2,1-3H3,(H,12,14)
InChIKeyHMXFOJTURXWQLZ-UHFFFAOYSA-N
XLogP0.26
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.26
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]butanehydrazide
CID 63585046
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanamide
CID 86865419
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
6-amino-1,3-dimethyl-5-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanoyl]pyrimidine-2,4-dione
CID 86865451
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-(aminomethyl)-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 65228946
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
CID 47455504

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide (CID 63585043) is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide is Cc1nc(CN(C)C(C)C(=O)NN)cs1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide?
The InChIKey is HMXFOJTURXWQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(9(14)12-10)13(3)4-8-5-15-7(2)11-8/h5-6H,4,10H2,1-3H3,(H,12,14).
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide?
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide has a molecular weight of 228.32 g/mol, XLogP of 0.26, 4 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]propanehydrazide is sourced from PubChem (CID 63585043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).