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

C9H15N3S — CID 115087742

IUPAC2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(C2CCNC2)n1
InChIInChI=1S/C9H15N3S/c10-3-1-8-6-13-9(12-8)7-2-4-11-5-7/h6-7,11H,1-5,10H2
InChIKeyUHFFCFNOJVQTEH-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.72
Rot. Bonds3

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

2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 115087742) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID115087742
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(C2CCNC2)n1
InChIInChI=1S/C9H15N3S/c10-3-1-8-6-13-9(12-8)7-2-4-11-5-7/h6-7,11H,1-5,10H2
InChIKeyUHFFCFNOJVQTEH-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
CID 115087748
2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82670556
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 83292303
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine (CID 115087742) is 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine is NCCc1csc(C2CCNC2)n1.
What is the InChIKey of 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is UHFFCFNOJVQTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-3-1-8-6-13-9(12-8)7-2-4-11-5-7/h6-7,11H,1-5,10H2.
What are the key properties of 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine?
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 197.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115087742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).