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

C14H25IN4S — CID 111098854

IUPACN'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1csc(CCCC/N=C(\N)N2CCCCC2)n1.I
InChIInChI=1S/C14H24N4S.HI/c1-12-11-19-13(17-12)7-3-4-8-16-14(15)18-9-5-2-6-10-18;/h11H,2-10H2,1H3,(H2,15,16);1H
InChIKeyHLZNPMQVVHFULK-UHFFFAOYSA-N
MW408.35 g/mol
LogP3.19
Rot. Bonds5

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

N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111098854) has the molecular formula C14H25IN4S and a molecular weight of 408.35 g/mol. Its IUPAC name is N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111098854
Molecular FormulaC14H25IN4S
Molecular Weight408.35 g/mol
Exact Mass408.08
IUPAC NameN'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESCc1csc(CCCC/N=C(\N)N2CCCCC2)n1.I
InChIInChI=1S/C14H24N4S.HI/c1-12-11-19-13(17-12)7-3-4-8-16-14(15)18-9-5-2-6-10-18;/h11H,2-10H2,1H3,(H2,15,16);1H
InChIKeyHLZNPMQVVHFULK-UHFFFAOYSA-N
XLogP3.19
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]azepane-1-carboximidamide
CID 75495266
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 110935335
N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111804713
1,1,3,3-tetramethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098812
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
1,3-diethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 110935338
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111975504
1-(3-methylbutyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098770
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
CID 136530651
N-ethyl-4-methyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide
CID 111211651
1-(6-methylheptan-2-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098794

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide (CID 111098854) is N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide is Cc1csc(CCCC/N=C(\N)N2CCCCC2)n1.I.
What is the InChIKey of N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is HLZNPMQVVHFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S.HI/c1-12-11-19-13(17-12)7-3-4-8-16-14(15)18-9-5-2-6-10-18;/h11H,2-10H2,1H3,(H2,15,16);1H.
What are the key properties of N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 408.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111098854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).