1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine

C13H23N3S — CID 115090127

IUPAC1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCN1CCC(Cc2ncc(CC(C)N)s2)C1
InChIInChI=1S/C13H23N3S/c1-3-16-5-4-11(9-16)7-13-15-8-12(17-13)6-10(2)14/h8,10-11H,3-7,9,14H2,1-2H3
InChIKeyQAAKHKWAGASCPM-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine

1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115090127) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115090127
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCN1CCC(Cc2ncc(CC(C)N)s2)C1
InChIInChI=1S/C13H23N3S/c1-3-16-5-4-11(9-16)7-13-15-8-12(17-13)6-10(2)14/h8,10-11H,3-7,9,14H2,1-2H3
InChIKeyQAAKHKWAGASCPM-UHFFFAOYSA-N
XLogP1.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090123
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090061
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090125
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115088171
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091086
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090109
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115092014
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115090197
5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-oxazol-4-amine
CID 115093385
1-[5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077367

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (CID 115090127) is 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is CCN1CCC(Cc2ncc(CC(C)N)s2)C1.
What is the InChIKey of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is QAAKHKWAGASCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-16-5-4-11(9-16)7-13-15-8-12(17-13)6-10(2)14/h8,10-11H,3-7,9,14H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115090127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).