N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

C19H34IN5OS — CID 111728742

IUPACN-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1csc(C(C)C)n1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H33N5OS.HI/c1-4-20-19(21-7-5-16-14-26-18(22-16)15(2)3)24-8-6-17(13-24)23-9-11-25-12-10-23;/h14-15,17H,4-13H2,1-3H3,(H,20,21);1H
InChIKeyRQVSVXWEIWGRLH-UHFFFAOYSA-N
MW507.49 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111728742) has the molecular formula C19H34IN5OS and a molecular weight of 507.49 g/mol. Its IUPAC name is N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111728742
Molecular FormulaC19H34IN5OS
Molecular Weight507.49 g/mol
Exact Mass507.15
IUPAC NameN-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1csc(C(C)C)n1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H33N5OS.HI/c1-4-20-19(21-7-5-16-14-26-18(22-16)15(2)3)24-8-6-17(13-24)23-9-11-25-12-10-23;/h14-15,17H,4-13H2,1-3H3,(H,20,21);1H
InChIKeyRQVSVXWEIWGRLH-UHFFFAOYSA-N
XLogP2.80
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-ethyl-3-hydroxy-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550793
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111550794
N-ethyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727255
ethyl 1-[N-ethyl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperidine-3-carboxylate
CID 110993883
N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728745
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728049
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728040
N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728068
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728468
N-ethyl-N'-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727978
3-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111726816
N'-(2-butoxyethyl)-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111728742) is N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1csc(C(C)C)n1)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is RQVSVXWEIWGRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5OS.HI/c1-4-20-19(21-7-5-16-14-26-18(22-16)15(2)3)24-8-6-17(13-24)23-9-11-25-12-10-23;/h14-15,17H,4-13H2,1-3H3,(H,20,21);1H.
What are the key properties of N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 507.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111728742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).