N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

C15H27IN4S — CID 109451734

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESCCc1nc(CN/C(=N\C)N2CC(C)(C)C2(C)C)cs1.I
InChIInChI=1S/C15H26N4S.HI/c1-7-12-18-11(9-20-12)8-17-13(16-6)19-10-14(2,3)15(19,4)5;/h9H,7-8,10H2,1-6H3,(H,16,17);1H
InChIKeyZCSDCZDEIWHOCX-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.52
Rot. Bonds3

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109451734) has the molecular formula C15H27IN4S and a molecular weight of 422.38 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109451734
Molecular FormulaC15H27IN4S
Molecular Weight422.38 g/mol
Exact Mass422.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESCCc1nc(CN/C(=N\C)N2CC(C)(C)C2(C)C)cs1.I
InChIInChI=1S/C15H26N4S.HI/c1-7-12-18-11(9-20-12)8-17-13(16-6)19-10-14(2,3)15(19,4)5;/h9H,7-8,10H2,1-6H3,(H,16,17);1H
InChIKeyZCSDCZDEIWHOCX-UHFFFAOYSA-N
XLogP3.52
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.52
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide 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',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453853
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441544
N',2,2,3,3-pentamethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109451832
N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453662
N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453353
N-[(4-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452660
N',2,2,3,3-pentamethyl-N-[(2-methylpyrazol-3-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453024
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377457
N-[[4-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453071
N-[2-(3,5-difluorophenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453949
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453078
N-benzyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451915

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (CID 109451734) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is CCc1nc(CN/C(=N\C)N2CC(C)(C)C2(C)C)cs1.I.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is ZCSDCZDEIWHOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S.HI/c1-7-12-18-11(9-20-12)8-17-13(16-6)19-10-14(2,3)15(19,4)5;/h9H,7-8,10H2,1-6H3,(H,16,17);1H.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 422.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).