N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide

C8H13N3S — CID 130708139

IUPACN'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide
SMILESC/C(N)=N\CCc1ncc(C)s1
InChIInChI=1S/C8H13N3S/c1-6-5-11-8(12-6)3-4-10-7(2)9/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyPRLRPTGMEMQAEQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.37
Rot. Bonds3

About N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide

N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide (PubChem CID 130708139) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide
PubChem CID130708139
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide
SMILESC/C(N)=N\CCc1ncc(C)s1
InChIInChI=1S/C8H13N3S/c1-6-5-11-8(12-6)3-4-10-7(2)9/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyPRLRPTGMEMQAEQ-UHFFFAOYSA-N
XLogP1.37
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.37
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-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide 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

2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 103696917
1-(3,4-dimethylphenyl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817236
3-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 69134787
1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylguanidine
CID 111792001
1-(3,4-dimethoxyphenyl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111817273
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817260
2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine
CID 130616108
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
4-(4-chlorophenyl)-N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111817237
2-(3-methylbutyl)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111817275
1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111821337
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817234

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide?
The IUPAC name of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide (CID 130708139) is N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide?
The canonical SMILES for N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide is C/C(N)=N\CCc1ncc(C)s1.
What is the InChIKey of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide?
The InChIKey is PRLRPTGMEMQAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-5-11-8(12-6)3-4-10-7(2)9/h5H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide?
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide has a molecular weight of 183.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide is sourced from PubChem (CID 130708139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).