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

C11H19N3S — CID 115087977

IUPAC[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCCN1CCC(Cc2nc(CN)cs2)C1
InChIInChI=1S/C11H19N3S/c1-2-14-4-3-9(7-14)5-11-13-10(6-12)8-15-11/h8-9H,2-7,12H2,1H3
InChIKeyWJNDYYSBZRLDQZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.49
Rot. Bonds4

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

[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 115087977) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID115087977
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCCN1CCC(Cc2nc(CN)cs2)C1
InChIInChI=1S/C11H19N3S/c1-2-14-4-3-9(7-14)5-11-13-10(6-12)8-15-11/h8-9H,2-7,12H2,1H3
InChIKeyWJNDYYSBZRLDQZ-UHFFFAOYSA-N
XLogP1.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087989
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 115088049
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115088171
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82515255
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090123
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090127
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine (CID 115087977) is [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine is CCN1CCC(Cc2nc(CN)cs2)C1.
What is the InChIKey of [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is WJNDYYSBZRLDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-14-4-3-9(7-14)5-11-13-10(6-12)8-15-11/h8-9H,2-7,12H2,1H3.
What are the key properties of [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 115087977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).