N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide

C18H27N5S — CID 109487695

IUPACN',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(/NCCc1cn2cccc(C)c2n1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H27N5S/c1-14-6-5-9-22-12-15(21-16(14)22)7-8-20-17(19-4)23-10-11-24-18(2,3)13-23/h5-6,9,12H,7-8,10-11,13H2,1-4H3,(H,19,20)
InChIKeyXBUFULSMUNEFJK-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.59
Rot. Bonds3

About N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide

N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 109487695) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID109487695
Molecular FormulaC18H27N5S
Molecular Weight345.52 g/mol
Exact Mass345.20
IUPAC NameN',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESC/N=C(/NCCc1cn2cccc(C)c2n1)N1CCSC(C)(C)C1
InChIInChI=1S/C18H27N5S/c1-14-6-5-9-22-12-15(21-16(14)22)7-8-20-17(19-4)23-10-11-24-18(2,3)13-23/h5-6,9,12H,7-8,10-11,13H2,1-4H3,(H,19,20)
InChIKeyXBUFULSMUNEFJK-UHFFFAOYSA-N
XLogP2.59
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.59
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',3-dimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 102559379
N',2,2-trimethyl-N-(2-thiophen-2-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487510
N-[2-(5-bromofuran-2-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488125
N',2,2-trimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109488834
N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109487457
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
N-[2-(4-methoxyphenyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488262
N-[2-(1H-indol-2-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109487723
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487566
N',2,2-trimethyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109488372
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109489722
N-[3-(1H-benzimidazol-2-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488624

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide (CID 109487695) is N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide is C/N=C(/NCCc1cn2cccc(C)c2n1)N1CCSC(C)(C)C1.
What is the InChIKey of N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is XBUFULSMUNEFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S/c1-14-6-5-9-22-12-15(21-16(14)22)7-8-20-17(19-4)23-10-11-24-18(2,3)13-23/h5-6,9,12H,7-8,10-11,13H2,1-4H3,(H,19,20).
What are the key properties of N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide?
N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 345.52 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109487695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).