N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide

C18H25N5OS — CID 111511817

IUPACN-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(C)s1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H25N5OS/c1-3-19-18(21-13-17-20-12-14(2)25-17)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24/h4-7,12,24H,3,8-11,13H2,1-2H3,(H,19,21)
InChIKeyDUHMZVORXZTXEM-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.44
Rot. Bonds4

About N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide

N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide (PubChem CID 111511817) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
PubChem CID111511817
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(C)s1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H25N5OS/c1-3-19-18(21-13-17-20-12-14(2)25-17)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24/h4-7,12,24H,3,8-11,13H2,1-2H3,(H,19,21)
InChIKeyDUHMZVORXZTXEM-UHFFFAOYSA-N
XLogP2.44
TPSA63.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111511816
N-ethyl-4-(2-hydroxyphenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111186250
N'-(cyclopropylmethyl)-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111184808
N-ethyl-4-(2-hydroxyphenyl)-N'-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111186095
N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184459
N-ethyl-N'-[(4-fluorophenyl)methyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111185043
N'-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111184440
N-ethyl-4-(2-hydroxyphenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185827
N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480415
N-ethyl-N'-(furan-2-ylmethyl)-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186043
N-ethyl-N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-hydroxyphenyl)piperazine-1-carboximidamide
CID 111185812
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide (CID 111511817) is N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide is CCN/C(=N\Cc1ncc(C)s1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide?
The InChIKey is DUHMZVORXZTXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-3-19-18(21-13-17-20-12-14(2)25-17)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24/h4-7,12,24H,3,8-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide?
N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide has a molecular weight of 359.50 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-hydroxyphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111511817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).