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

C15H26N4OS — CID 120661628

IUPACN'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCc2nc(C(C)(C)C)cs2)CCO1
InChIInChI=1S/C15H26N4OS/c1-11-9-19(7-8-20-11)14(16)17-6-5-13-18-12(10-21-13)15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17)
InChIKeyKJPPLNNGZINKNB-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.02
Rot. Bonds3

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

N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661628) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661628
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCc2nc(C(C)(C)C)cs2)CCO1
InChIInChI=1S/C15H26N4OS/c1-11-9-19(7-8-20-11)14(16)17-6-5-13-18-12(10-21-13)15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17)
InChIKeyKJPPLNNGZINKNB-UHFFFAOYSA-N
XLogP2.02
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111804713
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661665
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide (CID 120661628) is N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CCc2nc(C(C)(C)C)cs2)CCO1.
What is the InChIKey of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is KJPPLNNGZINKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11-9-19(7-8-20-11)14(16)17-6-5-13-18-12(10-21-13)15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17).
What are the key properties of N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 310.47 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).