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

C9H15N3S — CID 82670556

IUPAC2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc([C@H]2CCCN2)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/t8-/m1/s1
InChIKeyFWZNIXAFTVJPLQ-MRVPVSSYSA-N
MW197.31 g/mol
LogP1.07
Rot. Bonds3

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

2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 82670556) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
PubChem CID82670556
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc([C@H]2CCCN2)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/t8-/m1/s1
InChIKeyFWZNIXAFTVJPLQ-MRVPVSSYSA-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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Related Compounds

2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 83292303
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)acetaldehyde
CID 115088378
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088417
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
4-cyclopentyl-2-piperidin-2-yl-1,3-thiazole
CID 62634064
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820
4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 67579600

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine (CID 82670556) is 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc([C@H]2CCCN2)n1.
What is the InChIKey of 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FWZNIXAFTVJPLQ-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of 2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[(2R)-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-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82670556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).