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

C16H26IN7S — CID 111818029

IUPACN'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)Cn1ccnc1C/N=C(\N)N1CCN(c2nccs2)CC1.I
InChIInChI=1S/C16H25N7S.HI/c1-13(2)12-23-5-3-18-14(23)11-20-15(17)21-6-8-22(9-7-21)16-19-4-10-24-16;/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,17,20);1H
InChIKeyDFRBXULUKVRLGP-UHFFFAOYSA-N
MW475.40 g/mol
LogP2.25
Rot. Bonds5

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

N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111818029) has the molecular formula C16H26IN7S and a molecular weight of 475.40 g/mol. Its IUPAC name is N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111818029
Molecular FormulaC16H26IN7S
Molecular Weight475.40 g/mol
Exact Mass475.10
IUPAC NameN'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C)Cn1ccnc1C/N=C(\N)N1CCN(c2nccs2)CC1.I
InChIInChI=1S/C16H25N7S.HI/c1-13(2)12-23-5-3-18-14(23)11-20-15(17)21-6-8-22(9-7-21)16-19-4-10-24-16;/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,17,20);1H
InChIKeyDFRBXULUKVRLGP-UHFFFAOYSA-N
XLogP2.25
TPSA75.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
tert-butyl 4-[N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111817974
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
N'-[(1-methylbenzimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111033452
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111817449
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-[2-(dimethylamino)-2-methylpropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111028763
N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111600781
N'-[(4-tert-butylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111045490
N'-[(2,6-difluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 75468898

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111818029) is N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is CC(C)Cn1ccnc1C/N=C(\N)N1CCN(c2nccs2)CC1.I.
What is the InChIKey of N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is DFRBXULUKVRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7S.HI/c1-13(2)12-23-5-3-18-14(23)11-20-15(17)21-6-8-22(9-7-21)16-19-4-10-24-16;/h3-5,10,13H,6-9,11-12H2,1-2H3,(H2,17,20);1H.
What are the key properties of N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 475.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111818029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).