1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine

C14H25N3S — CID 60856853

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCN1CCC(CNC(C)c2nc(C)sc2C)C1
InChIInChI=1S/C14H25N3S/c1-5-17-7-6-13(9-17)8-15-10(2)14-11(3)18-12(4)16-14/h10,13,15H,5-9H2,1-4H3
InChIKeyDHCVZTQHFPGVKJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.75
Rot. Bonds5

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 60856853) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID60856853
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCN1CCC(CNC(C)c2nc(C)sc2C)C1
InChIInChI=1S/C14H25N3S/c1-5-17-7-6-13(9-17)8-15-10(2)14-11(3)18-12(4)16-14/h10,13,15H,5-9H2,1-4H3
InChIKeyDHCVZTQHFPGVKJ-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106563002
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81298495
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141
1-(4-bromo-2-fluorophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82964845
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629745
N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169706
N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992298
1-(3-bromo-4-methoxyphenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 60857351
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113495978
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine (CID 60856853) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine is CCN1CCC(CNC(C)c2nc(C)sc2C)C1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is DHCVZTQHFPGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-17-7-6-13(9-17)8-15-10(2)14-11(3)18-12(4)16-14/h10,13,15H,5-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 60856853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).