1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine

C13H23N3S — CID 113387356

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine
SMILESCCc1cnc(C(C)NCCC2CCNC2)s1
InChIInChI=1S/C13H23N3S/c1-3-12-9-16-13(17-12)10(2)15-7-5-11-4-6-14-8-11/h9-11,14-15H,3-8H2,1-2H3
InChIKeyIMCOIHGNEGLWQF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.36
Rot. Bonds6

About 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine

1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine (PubChem CID 113387356) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine
PubChem CID113387356
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine
SMILESCCc1cnc(C(C)NCCC2CCNC2)s1
InChIInChI=1S/C13H23N3S/c1-3-12-9-16-13(17-12)10(2)15-7-5-11-4-6-14-8-11/h9-11,14-15H,3-8H2,1-2H3
InChIKeyIMCOIHGNEGLWQF-UHFFFAOYSA-N
XLogP2.36
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine (CID 113387356) is 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine is CCc1cnc(C(C)NCCC2CCNC2)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine?
The InChIKey is IMCOIHGNEGLWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-12-9-16-13(17-12)10(2)15-7-5-11-4-6-14-8-11/h9-11,14-15H,3-8H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine?
1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine is sourced from PubChem (CID 113387356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).