N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C15H22N6S2 — CID 110032546

IUPACN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C15H22N6S2/c1-11(13-19-12(2)10-23-13)9-18-14(16)20-4-6-21(7-5-20)15-17-3-8-22-15/h3,8,10-11H,4-7,9H2,1-2H3,(H2,16,18)
InChIKeyDTPKANCMVBFYIC-UHFFFAOYSA-N
MW350.52 g/mol
LogP2.15
Rot. Bonds4

About N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 110032546) has the molecular formula C15H22N6S2 and a molecular weight of 350.52 g/mol. Its IUPAC name is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID110032546
Molecular FormulaC15H22N6S2
Molecular Weight350.52 g/mol
Exact Mass350.13
IUPAC NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C15H22N6S2/c1-11(13-19-12(2)10-23-13)9-18-14(16)20-4-6-21(7-5-20)15-17-3-8-22-15/h3,8,10-11H,4-7,9H2,1-2H3,(H2,16,18)
InChIKeyDTPKANCMVBFYIC-UHFFFAOYSA-N
XLogP2.15
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.52
LogP ≤ 52.15
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'}

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Related Compounds

N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
CID 136530651
4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
CID 110032524
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110032535
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444
N'-(2-methoxy-3,3-dimethylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111757959
N'-(2-methoxy-3,3-dimethylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111757958
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-[2-methyl-2-(4-methylphenyl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111101303
N'-[(4-tert-butylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111045490
N'-[2-(4-fluorophenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111820342
N'-[2-(2-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111820606

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 110032546) is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is Cc1csc(C(C)C/N=C(\N)N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is DTPKANCMVBFYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S2/c1-11(13-19-12(2)10-23-13)9-18-14(16)20-4-6-21(7-5-20)15-17-3-8-22-15/h3,8,10-11H,4-7,9H2,1-2H3,(H2,16,18).
What are the key properties of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 350.52 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 110032546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).