1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine

C14H25N5S — CID 86777669

IUPAC1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCNC(=NCCc1csc(N2CCCC2)n1)NCC
InChIInChI=1S/C14H25N5S/c1-3-15-13(16-4-2)17-8-7-12-11-20-14(18-12)19-9-5-6-10-19/h11H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyHQNMWFUWNSCCPO-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.86
Rot. Bonds6

About 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine

1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 86777669) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID86777669
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCNC(=NCCc1csc(N2CCCC2)n1)NCC
InChIInChI=1S/C14H25N5S/c1-3-15-13(16-4-2)17-8-7-12-11-20-14(18-12)19-9-5-6-10-19/h11H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyHQNMWFUWNSCCPO-UHFFFAOYSA-N
XLogP1.86
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine (CID 86777669) is 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine is CCNC(=NCCc1csc(N2CCCC2)n1)NCC.
What is the InChIKey of 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is HQNMWFUWNSCCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-3-15-13(16-4-2)17-8-7-12-11-20-14(18-12)19-9-5-6-10-19/h11H,3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine?
1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 295.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 86777669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).