N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine

C11H21N3S — CID 123496139

IUPACN,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine
SMILESCCN(CC)C1=NC(N2CCCC2)SC1
InChIInChI=1S/C11H21N3S/c1-3-13(4-2)10-9-15-11(12-10)14-7-5-6-8-14/h11H,3-9H2,1-2H3
InChIKeyPIBJOHGUKGBORO-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.85
Rot. Bonds3

About N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine

N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine (PubChem CID 123496139) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine
PubChem CID123496139
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine
SMILESCCN(CC)C1=NC(N2CCCC2)SC1
InChIInChI=1S/C11H21N3S/c1-3-13(4-2)10-9-15-11(12-10)14-7-5-6-8-14/h11H,3-9H2,1-2H3
InChIKeyPIBJOHGUKGBORO-UHFFFAOYSA-N
XLogP1.85
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylethyl)-1-(methylsulfanylmethyl)pyrrolidin-2-imine
CID 166800563
5-Methyl-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 3571632
1-Ethylthio-1-pyrrolidinyl-2-azapent-1-ene
CID 19578573
2-pyrrolidin-1-ium-1-ylidene-4-pyrrolidin-1-yl-5H-1,3-thiazole
CID 26975032
(5S)-5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole
CID 92181683
(5R)-5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole
CID 92181684

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine?
The IUPAC name of N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine (CID 123496139) is N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine.
What is the SMILES notation for N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine?
The canonical SMILES for N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine is CCN(CC)C1=NC(N2CCCC2)SC1.
What is the InChIKey of N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine?
The InChIKey is PIBJOHGUKGBORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-13(4-2)10-9-15-11(12-10)14-7-5-6-8-14/h11H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine?
N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine has a molecular weight of 227.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyrrolidin-1-yl-2,5-dihydro-1,3-thiazol-4-amine is sourced from PubChem (CID 123496139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).