N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide

C15H27IN4S — CID 109453533

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cnc(C)s1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H26N4S.HI/c1-7-16-13(18-9-12-8-17-11(2)20-12)19-10-14(3,4)15(19,5)6;/h8H,7,9-10H2,1-6H3,(H,16,18);1H
InChIKeyBXSDQVXSCQEMDC-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.66
Rot. Bonds3

About N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453533) has the molecular formula C15H27IN4S and a molecular weight of 422.38 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109453533
Molecular FormulaC15H27IN4S
Molecular Weight422.38 g/mol
Exact Mass422.10
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cnc(C)s1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H26N4S.HI/c1-7-16-13(18-9-12-8-17-11(2)20-12)19-10-14(3,4)15(19,5)6;/h8H,7,9-10H2,1-6H3,(H,16,18);1H
InChIKeyBXSDQVXSCQEMDC-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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'}

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Related Compounds

N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453750
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452008
N-ethyl-2,2,3,3-tetramethyl-N'-[(5-sulfamoylthiophen-2-yl)methyl]azetidine-1-carboximidamide
CID 109453788
N-ethyl-3,5-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
CID 111154095
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-3-ylmethyl)azetidine-1-carboximidamide;hydroiodide
CID 109453529
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454385
N-ethyl-2,2,3,3-tetramethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109454355
1-tert-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110964276
N-ethyl-2,2,3,3-tetramethyl-N'-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]azetidine-1-carboximidamide
CID 109451989
3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 109453216
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-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide (CID 109453533) is N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1cnc(C)s1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is BXSDQVXSCQEMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S.HI/c1-7-16-13(18-9-12-8-17-11(2)20-12)19-10-14(3,4)15(19,5)6;/h8H,7,9-10H2,1-6H3,(H,16,18);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 422.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).