[(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine

C10H17N3S — CID 66783233

IUPAC[(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
SMILESCCN1CC[C@@H](C(N)c2nccs2)C1
InChIInChI=1S/C10H17N3S/c1-2-13-5-3-8(7-13)9(11)10-12-4-6-14-10/h4,6,8-9H,2-3,5,7,11H2,1H3/t8-,9?/m1/s1
InChIKeyXRFQJGOPNIAWEE-VEDVMXKPSA-N
MW211.33 g/mol
LogP1.48
Rot. Bonds3

About [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine

[(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine (PubChem CID 66783233) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name[(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
PubChem CID66783233
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
SMILESCCN1CC[C@@H](C(N)c2nccs2)C1
InChIInChI=1S/C10H17N3S/c1-2-13-5-3-8(7-13)9(11)10-12-4-6-14-10/h4,6,8-9H,2-3,5,7,11H2,1H3/t8-,9?/m1/s1
InChIKeyXRFQJGOPNIAWEE-VEDVMXKPSA-N
XLogP1.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine (CID 66783233) is [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine is CCN1CC[C@@H](C(N)c2nccs2)C1.
What is the InChIKey of [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
The InChIKey is XRFQJGOPNIAWEE-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-13-5-3-8(7-13)9(11)10-12-4-6-14-10/h4,6,8-9H,2-3,5,7,11H2,1H3/t8-,9?/m1/s1.
What are the key properties of [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine?
[(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 66783233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).