N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C19H26N6OS — CID 111050076

IUPACN'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(OC2CCCC2)nc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H26N6OS/c20-18(24-8-10-25(11-9-24)19-21-7-12-27-19)23-14-15-5-6-17(22-13-15)26-16-3-1-2-4-16/h5-7,12-13,16H,1-4,8-11,14H2,(H2,20,23)
InChIKeyIYUBQGMCHDOGOE-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.50
Rot. Bonds5

About N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111050076) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111050076
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC NameN'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(OC2CCCC2)nc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H26N6OS/c20-18(24-8-10-25(11-9-24)19-21-7-12-27-19)23-14-15-5-6-17(22-13-15)26-16-3-1-2-4-16/h5-7,12-13,16H,1-4,8-11,14H2,(H2,20,23)
InChIKeyIYUBQGMCHDOGOE-UHFFFAOYSA-N
XLogP2.50
TPSA79.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.50
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'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111101167
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111051251
N'-[(4-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111025747
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
N'-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111049160
N'-[(4-tert-butylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111045490
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
N'-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111087150
N'-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111069445
N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111817122
N'-[(4-sulfamoylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111024568
N'-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111049345

Frequently Asked Questions

What is the IUPAC name of N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111050076) is N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is N/C(=N\Cc1ccc(OC2CCCC2)nc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is IYUBQGMCHDOGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c20-18(24-8-10-25(11-9-24)19-21-7-12-27-19)23-14-15-5-6-17(22-13-15)26-16-3-1-2-4-16/h5-7,12-13,16H,1-4,8-11,14H2,(H2,20,23).
What are the key properties of N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 386.53 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-cyclopentyloxy-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).