N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H21N3S — CID 60855032

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCC(CNC2=NCC(C)S2)C1
InChIInChI=1S/C11H21N3S/c1-3-14-5-4-10(8-14)7-13-11-12-6-9(2)15-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyMPRXVAJHBOOTEV-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.41
Rot. Bonds3

About N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 60855032) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID60855032
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN1CCC(CNC2=NCC(C)S2)C1
InChIInChI=1S/C11H21N3S/c1-3-14-5-4-10(8-14)7-13-11-12-6-9(2)15-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyMPRXVAJHBOOTEV-UHFFFAOYSA-N
XLogP1.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 60855032) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCN1CCC(CNC2=NCC(C)S2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MPRXVAJHBOOTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-14-5-4-10(8-14)7-13-11-12-6-9(2)15-11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 60855032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).