N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C13H23IN4S — CID 111817351

IUPACN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1nc(C/N=C(\N)N2CCCC(C)C2)sc1C.I
InChIInChI=1S/C13H22N4S.HI/c1-9-5-4-6-17(8-9)13(14)15-7-12-16-10(2)11(3)18-12;/h9H,4-8H2,1-3H3,(H2,14,15);1H
InChIKeyPCBFHXOMPMEOOS-UHFFFAOYSA-N
MW394.33 g/mol
LogP2.92
Rot. Bonds2

About N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111817351) has the molecular formula C13H23IN4S and a molecular weight of 394.33 g/mol. Its IUPAC name is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111817351
Molecular FormulaC13H23IN4S
Molecular Weight394.33 g/mol
Exact Mass394.07
IUPAC NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1nc(C/N=C(\N)N2CCCC(C)C2)sc1C.I
InChIInChI=1S/C13H22N4S.HI/c1-9-5-4-6-17(8-9)13(14)15-7-12-16-10(2)11(3)18-12;/h9H,4-8H2,1-3H3,(H2,14,15);1H
InChIKeyPCBFHXOMPMEOOS-UHFFFAOYSA-N
XLogP2.92
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 52.92
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'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111078920
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
tert-butyl 4-[N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111817389
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111817449
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
1-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111817439
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
3-methyl-N'-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-1-carboximidamide
CID 111031930
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739

Frequently Asked Questions

What is the IUPAC name of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111817351) is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is Cc1nc(C/N=C(\N)N2CCCC(C)C2)sc1C.I.
What is the InChIKey of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is PCBFHXOMPMEOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S.HI/c1-9-5-4-6-17(8-9)13(14)15-7-12-16-10(2)11(3)18-12;/h9H,4-8H2,1-3H3,(H2,14,15);1H.
What are the key properties of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 394.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111817351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).