N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C19H33N5OS — CID 111728745

IUPACN-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H33N5OS/c1-4-17-15(3)26-18(22-17)6-8-21-19(20-5-2)24-9-7-16(14-24)23-10-12-25-13-11-23/h16H,4-14H2,1-3H3,(H,20,21)
InChIKeyQIRFNIANYAGVRQ-UHFFFAOYSA-N
MW379.57 g/mol
LogP1.93
Rot. Bonds6

About N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111728745) has the molecular formula C19H33N5OS and a molecular weight of 379.57 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111728745
Molecular FormulaC19H33N5OS
Molecular Weight379.57 g/mol
Exact Mass379.24
IUPAC NameN-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H33N5OS/c1-4-17-15(3)26-18(22-17)6-8-21-19(20-5-2)24-9-7-16(14-24)23-10-12-25-13-11-23/h16H,4-14H2,1-3H3,(H,20,21)
InChIKeyQIRFNIANYAGVRQ-UHFFFAOYSA-N
XLogP1.93
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 51.93
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'}

Analyze N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955839
N-ethyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727255
N-ethyl-3-morpholin-4-yl-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728742
N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728068
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 109405255
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728468
3-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111726816
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728049
N'-(2-butoxyethyl)-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728652
N-ethyl-N'-[2-(4-methylphenyl)sulfanylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726852
N'-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726907
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119158479

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111728745) is N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CCN/C(=N\CCc1nc(CC)c(C)s1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is QIRFNIANYAGVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5OS/c1-4-17-15(3)26-18(22-17)6-8-21-19(20-5-2)24-9-7-16(14-24)23-10-12-25-13-11-23/h16H,4-14H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 379.57 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111728745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).