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

C12H20N4S — CID 111822147

IUPACN'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCc1cnc(C/N=C(\N)N2CCCCC2)s1
InChIInChI=1S/C12H20N4S/c1-2-10-8-14-11(17-10)9-15-12(13)16-6-4-3-5-7-16/h8H,2-7,9H2,1H3,(H2,13,15)
InChIKeyHLMDWCOIWXHYQB-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.01
Rot. Bonds3

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

N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111822147) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID111822147
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCc1cnc(C/N=C(\N)N2CCCCC2)s1
InChIInChI=1S/C12H20N4S/c1-2-10-8-14-11(17-10)9-15-12(13)16-6-4-3-5-7-16/h8H,2-7,9H2,1H3,(H2,13,15)
InChIKeyHLMDWCOIWXHYQB-UHFFFAOYSA-N
XLogP2.01
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048
N'-[(2-ethyl-1,3-oxazol-5-yl)methyl]azepane-1-carboximidamide
CID 122097891
N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111822141
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 103696932
N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111822090
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111515570
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 111078321
1-cyclopentyl-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495840
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-octylguanidine
CID 111822130

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide (CID 111822147) is N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide is CCc1cnc(C/N=C(\N)N2CCCCC2)s1.
What is the InChIKey of N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is HLMDWCOIWXHYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-10-8-14-11(17-10)9-15-12(13)16-6-4-3-5-7-16/h8H,2-7,9H2,1H3,(H2,13,15).
What are the key properties of N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide?
N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 252.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111822147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).