2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine

C9H15N3S — CID 83292303

IUPAC2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(C2CCCN2)n1
InChIInChI=1S/C9H15N3S/c10-4-3-7-6-13-9(12-7)8-2-1-5-11-8/h6,8,11H,1-5,10H2
InChIKeyFWZNIXAFTVJPLQ-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.07
Rot. Bonds3

About 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine

2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 83292303) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID83292303
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(C2CCCN2)n1
InChIInChI=1S/C9H15N3S/c10-4-3-7-6-13-9(12-7)8-2-1-5-11-8/h6,8,11H,1-5,10H2
InChIKeyFWZNIXAFTVJPLQ-UHFFFAOYSA-N
XLogP1.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine (CID 83292303) is 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine is NCCc1csc(C2CCCN2)n1.
What is the InChIKey of 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is FWZNIXAFTVJPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-4-3-7-6-13-9(12-7)8-2-1-5-11-8/h6,8,11H,1-5,10H2.
What are the key properties of 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine?
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 197.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 83292303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).