N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide

C14H24N4S — CID 111109775

IUPACN'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCc1nc(C)c(CC/N=C(\N)N2CCC(C)CC2)s1
InChIInChI=1S/C14H24N4S/c1-10-5-8-18(9-6-10)14(15)16-7-4-13-11(2)17-12(3)19-13/h10H,4-9H2,1-3H3,(H2,15,16)
InChIKeyGDUBSKQEQYQVRO-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.35
Rot. Bonds3

About N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 111109775) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID111109775
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide
SMILESCc1nc(C)c(CC/N=C(\N)N2CCC(C)CC2)s1
InChIInChI=1S/C14H24N4S/c1-10-5-8-18(9-6-10)14(15)16-7-4-13-11(2)17-12(3)19-13/h10H,4-9H2,1-3H3,(H2,15,16)
InChIKeyGDUBSKQEQYQVRO-UHFFFAOYSA-N
XLogP2.35
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.35
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-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110921015
4-methyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110930254
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110927708
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111807297
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111758697
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110919594
N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide (CID 111109775) is N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide is Cc1nc(C)c(CC/N=C(\N)N2CCC(C)CC2)s1.
What is the InChIKey of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is GDUBSKQEQYQVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10-5-8-18(9-6-10)14(15)16-7-4-13-11(2)17-12(3)19-13/h10H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 280.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111109775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).