N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide

C14H24N4S — CID 110927708

IUPACN'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCCc1nc(CC/N=C(\N)N2CCC(C)CC2)cs1
InChIInChI=1S/C14H24N4S/c1-3-13-17-12(10-19-13)4-7-16-14(15)18-8-5-11(2)6-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16)
InChIKeyFWOKPOBPDYOZJD-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.29
Rot. Bonds4

About N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110927708) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110927708
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCCc1nc(CC/N=C(\N)N2CCC(C)CC2)cs1
InChIInChI=1S/C14H24N4S/c1-3-13-17-12(10-19-13)4-7-16-14(15)18-8-5-11(2)6-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16)
InChIKeyFWOKPOBPDYOZJD-UHFFFAOYSA-N
XLogP2.29
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.29
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'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661472
N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153251
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256285
N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 111109775
N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110921015
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
4-acetyl-N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 110963059
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125438149
1-cyclopentyl-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110990984
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 110927708) is N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide is CCc1nc(CC/N=C(\N)N2CCC(C)CC2)cs1.
What is the InChIKey of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is FWOKPOBPDYOZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-3-13-17-12(10-19-13)4-7-16-14(15)18-8-5-11(2)6-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 280.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110927708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).