N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

C14H26N4S — CID 55160506

IUPACN,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCCNCc1cnc(N2CCC(N(CC)CC)C2)s1
InChIInChI=1S/C14H26N4S/c1-4-15-9-13-10-16-14(19-13)18-8-7-12(11-18)17(5-2)6-3/h10,12,15H,4-9,11H2,1-3H3
InChIKeyTVCLDOOFPYQIMZ-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.17
Rot. Bonds7

About N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine

N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (PubChem CID 55160506) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
PubChem CID55160506
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCCNCc1cnc(N2CCC(N(CC)CC)C2)s1
InChIInChI=1S/C14H26N4S/c1-4-15-9-13-10-16-14(19-13)18-8-7-12(11-18)17(5-2)6-3/h10,12,15H,4-9,11H2,1-3H3
InChIKeyTVCLDOOFPYQIMZ-UHFFFAOYSA-N
XLogP2.17
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine (CID 55160506) is N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is CCNCc1cnc(N2CCC(N(CC)CC)C2)s1.
What is the InChIKey of N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is TVCLDOOFPYQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-15-9-13-10-16-14(19-13)18-8-7-12(11-18)17(5-2)6-3/h10,12,15H,4-9,11H2,1-3H3.
What are the key properties of N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine?
N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine has a molecular weight of 282.46 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 55160506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).