N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide

C16H29IN4S — CID 109453853

IUPACN',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1csc(C(C)C)n1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H28N4S.HI/c1-11(2)13-19-12(9-21-13)8-18-14(17-7)20-10-15(3,4)16(20,5)6;/h9,11H,8,10H2,1-7H3,(H,17,18);1H
InChIKeyUAZOJFRDPSVKMT-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.08
Rot. Bonds3

About N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453853) has the molecular formula C16H29IN4S and a molecular weight of 436.41 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109453853
Molecular FormulaC16H29IN4S
Molecular Weight436.41 g/mol
Exact Mass436.12
IUPAC NameN',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1csc(C(C)C)n1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H28N4S.HI/c1-11(2)13-19-12(9-21-13)8-18-14(17-7)20-10-15(3,4)16(20,5)6;/h9,11H,8,10H2,1-7H3,(H,17,18);1H
InChIKeyUAZOJFRDPSVKMT-UHFFFAOYSA-N
XLogP4.08
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.08
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-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451734
N',2,2,3,3-pentamethyl-N-[(2-methylpyrazol-3-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453024
N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111738430
1,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 75494045
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-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452932
N-[(4-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452660
N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453857
N-[[4-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453071
N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 115680460
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453028

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide (CID 109453853) is N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1csc(C(C)C)n1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is UAZOJFRDPSVKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S.HI/c1-11(2)13-19-12(9-21-13)8-18-14(17-7)20-10-15(3,4)16(20,5)6;/h9,11H,8,10H2,1-7H3,(H,17,18);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 436.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).