N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

C20H35IN6S — CID 111027257

IUPACN'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(N2CCCCC2)CCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C20H34N6S.HI/c21-18(24-12-14-25(15-13-24)19-22-9-16-27-19)23-17-20(7-3-1-4-8-20)26-10-5-2-6-11-26;/h9,16H,1-8,10-15,17H2,(H2,21,23);1H
InChIKeyWVDNBWSDPKZBJM-UHFFFAOYSA-N
MW518.51 g/mol
LogP3.39
Rot. Bonds4

About N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111027257) has the molecular formula C20H35IN6S and a molecular weight of 518.51 g/mol. Its IUPAC name is N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111027257
Molecular FormulaC20H35IN6S
Molecular Weight518.51 g/mol
Exact Mass518.17
IUPAC NameN'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(N2CCCCC2)CCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C20H34N6S.HI/c21-18(24-12-14-25(15-13-24)19-22-9-16-27-19)23-17-20(7-3-1-4-8-20)26-10-5-2-6-11-26;/h9,16H,1-8,10-15,17H2,(H2,21,23);1H
InChIKeyWVDNBWSDPKZBJM-UHFFFAOYSA-N
XLogP3.39
TPSA60.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[(1-propoxycyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111823278
N'-(2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111036881
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine
CID 24698429
N'-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117256
N'-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111087150
4-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]oxane-4-carboxamide
CID 111069180
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111037682
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079001
N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803536

Frequently Asked Questions

What is the IUPAC name of N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111027257) is N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1(N2CCCCC2)CCCCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is WVDNBWSDPKZBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6S.HI/c21-18(24-12-14-25(15-13-24)19-22-9-16-27-19)23-17-20(7-3-1-4-8-20)26-10-5-2-6-11-26;/h9,16H,1-8,10-15,17H2,(H2,21,23);1H.
What are the key properties of N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 518.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-piperidin-1-ylcyclohexyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111027257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).