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

C14H21IN6S2 — CID 111817449

IUPACN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCc1nc(C/N=C(\N)N2CCN(c3nccs3)CC2)sc1C.I
InChIInChI=1S/C14H20N6S2.HI/c1-10-11(2)22-12(18-10)9-17-13(15)19-4-6-20(7-5-19)14-16-3-8-21-14;/h3,8H,4-7,9H2,1-2H3,(H2,15,17);1H
InChIKeyWWKLCGFCTZIRBP-UHFFFAOYSA-N
MW464.40 g/mol
LogP2.47
Rot. Bonds3

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

N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111817449) has the molecular formula C14H21IN6S2 and a molecular weight of 464.40 g/mol. Its IUPAC name is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111817449
Molecular FormulaC14H21IN6S2
Molecular Weight464.40 g/mol
Exact Mass464.03
IUPAC NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCc1nc(C/N=C(\N)N2CCN(c3nccs3)CC2)sc1C.I
InChIInChI=1S/C14H20N6S2.HI/c1-10-11(2)22-12(18-10)9-17-13(15)19-4-6-20(7-5-19)14-16-3-8-21-14;/h3,8H,4-7,9H2,1-2H3,(H2,15,17);1H
InChIKeyWWKLCGFCTZIRBP-UHFFFAOYSA-N
XLogP2.47
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 52.47
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'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 110027054
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 110027055
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
N'-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111025747
N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111818029
N'-[(4-methoxy-3-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111095769

Frequently Asked Questions

What is the IUPAC name of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 111817449) is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is Cc1nc(C/N=C(\N)N2CCN(c3nccs3)CC2)sc1C.I.
What is the InChIKey of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is WWKLCGFCTZIRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S2.HI/c1-10-11(2)22-12(18-10)9-17-13(15)19-4-6-20(7-5-19)14-16-3-8-21-14;/h3,8H,4-7,9H2,1-2H3,(H2,15,17);1H.
What are the key properties of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 464.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111817449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).