N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide

C10H17N3S — CID 63244937

IUPACN'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1nc(C)cs1
InChIInChI=1S/C10H17N3S/c1-3-4-9(11)12-6-5-10-13-8(2)7-14-10/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyRAMUYPJFOVRBNN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds5

About N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide

N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide (PubChem CID 63244937) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide.

Molecular Properties

Compound NameN'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide
PubChem CID63244937
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1nc(C)cs1
InChIInChI=1S/C10H17N3S/c1-3-4-9(11)12-6-5-10-13-8(2)7-14-10/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyRAMUYPJFOVRBNN-UHFFFAOYSA-N
XLogP2.15
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
CID 106043202
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 110935335
3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 1497792
2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-octylguanidine
CID 111097861
N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
CID 62795006
2-(2-isocyanatoethyl)-4-methyl-1,3-thiazole
CID 63240261
2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]azepane-1-carboximidamide
CID 75495266
N'-(1,3-thiazol-2-ylmethyl)butanimidamide
CID 63177124
1,3-diethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 110935338
1,1,3,3-tetramethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111097891
2-ethyl-4-methyl-1,3-thiazole
CID 27440

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide?
The IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide (CID 63244937) is N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide.
What is the SMILES notation for N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide?
The canonical SMILES for N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide is CCC/C(N)=N\CCc1nc(C)cs1.
What is the InChIKey of N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide?
The InChIKey is RAMUYPJFOVRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-4-9(11)12-6-5-10-13-8(2)7-14-10/h7H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide?
N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide has a molecular weight of 211.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanimidamide is sourced from PubChem (CID 63244937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).