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

C16H28N4S — CID 109453750

IUPACN-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(CC)s1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H28N4S/c1-7-12-9-18-13(21-12)10-19-14(17-8-2)20-11-15(3,4)16(20,5)6/h9H,7-8,10-11H2,1-6H3,(H,17,19)
InChIKeyZEVOHNDYRBEBBM-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.29
Rot. Bonds4

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

N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide (PubChem CID 109453750) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
PubChem CID109453750
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC NameN-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(CC)s1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H28N4S/c1-7-12-9-18-13(21-12)10-19-14(17-8-2)20-11-15(3,4)16(20,5)6/h9H,7-8,10-11H2,1-6H3,(H,17,19)
InChIKeyZEVOHNDYRBEBBM-UHFFFAOYSA-N
XLogP3.29
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.29
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'}

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Related Compounds

N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453533
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109489427
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489426
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
N-ethyl-2,2,3,3-tetramethyl-N'-[(5-sulfamoylthiophen-2-yl)methyl]azetidine-1-carboximidamide
CID 109453788
1-(2,2-dimethylcyclopropyl)-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119139838
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452008
1-cyclopropyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495600
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-3-ylmethyl)azetidine-1-carboximidamide;hydroiodide
CID 109453529
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
N'-[[6-(dimethylamino)-2-pyridinyl]methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide (CID 109453750) is N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide is CCN/C(=N\Cc1ncc(CC)s1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The InChIKey is ZEVOHNDYRBEBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-7-12-9-18-13(21-12)10-19-14(17-8-2)20-11-15(3,4)16(20,5)6/h9H,7-8,10-11H2,1-6H3,(H,17,19).
What are the key properties of N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide has a molecular weight of 308.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).