1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine

C15H21N3S2 — CID 97028745

IUPAC1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCN1CC[C@H](CNCc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C15H21N3S2/c1-2-18-5-3-12(9-18)7-16-8-14-11-20-15(17-14)13-4-6-19-10-13/h4,6,10-12,16H,2-3,5,7-9H2,1H3/t12-/m1/s1
InChIKeyUXYJHBQZGOYZRX-GFCCVEGCSA-N
MW307.49 g/mol
LogP3.30
Rot. Bonds6

About 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine

1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 97028745) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID97028745
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCN1CC[C@H](CNCc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C15H21N3S2/c1-2-18-5-3-12(9-18)7-16-8-14-11-20-15(17-14)13-4-6-19-10-13/h4,6,10-12,16H,2-3,5,7-9H2,1H3/t12-/m1/s1
InChIKeyUXYJHBQZGOYZRX-GFCCVEGCSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 97028745) is 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine is CCN1CC[C@H](CNCc2csc(-c3ccsc3)n2)C1.
What is the InChIKey of 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is UXYJHBQZGOYZRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-2-18-5-3-12(9-18)7-16-8-14-11-20-15(17-14)13-4-6-19-10-13/h4,6,10-12,16H,2-3,5,7-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 307.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 97028745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).