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

C15H18FN5OS — CID 111817122

IUPACN'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(O)c(F)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H18FN5OS/c16-12-9-11(1-2-13(12)22)10-19-14(17)20-4-6-21(7-5-20)15-18-3-8-23-15/h1-3,8-9,22H,4-7,10H2,(H2,17,19)
InChIKeyRFEXIAVAKDZXNI-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.62
Rot. Bonds3

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

N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111817122) has the molecular formula C15H18FN5OS and a molecular weight of 335.41 g/mol. Its IUPAC name is N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111817122
Molecular FormulaC15H18FN5OS
Molecular Weight335.41 g/mol
Exact Mass335.12
IUPAC NameN'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(O)c(F)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H18FN5OS/c16-12-9-11(1-2-13(12)22)10-19-14(17)20-4-6-21(7-5-20)15-18-3-8-23-15/h1-3,8-9,22H,4-7,10H2,(H2,17,19)
InChIKeyRFEXIAVAKDZXNI-UHFFFAOYSA-N
XLogP1.62
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.62
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'-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111025747
N'-[[4-(diethylamino)-3-fluorophenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111804357
N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111068354
N'-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111080084
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
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'-[(2-methylsulfanyl-4-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 75471225
N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 75468371
N'-[(4-sulfamoylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111024568
N'-[(3-bromo-5-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111076982
N'-[(4-methoxy-3-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111095770

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111817122) is N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is N/C(=N\Cc1ccc(O)c(F)c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is RFEXIAVAKDZXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5OS/c16-12-9-11(1-2-13(12)22)10-19-14(17)20-4-6-21(7-5-20)15-18-3-8-23-15/h1-3,8-9,22H,4-7,10H2,(H2,17,19).
What are the key properties of N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 335.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111817122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).