N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C13H23N3OS — CID 103540233

IUPACN-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCC(OC)C2)s1
InChIInChI=1S/C13H23N3OS/c1-4-6-14-10(2)12-8-15-13(18-12)16-7-5-11(9-16)17-3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyYPCGAHGJTJICEY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.43
Rot. Bonds6

About N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 103540233) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID103540233
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCC(OC)C2)s1
InChIInChI=1S/C13H23N3OS/c1-4-6-14-10(2)12-8-15-13(18-12)16-7-5-11(9-16)17-3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyYPCGAHGJTJICEY-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79164736
N-[1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62751961
N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62753967
N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62776879
4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62751583
N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83122477
N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 102959079
1-[2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62753720
N-[1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 103534460
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62754570
N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 83221091
N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 114540452

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 103540233) is N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(N2CCC(OC)C2)s1.
What is the InChIKey of N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is YPCGAHGJTJICEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-6-14-10(2)12-8-15-13(18-12)16-7-5-11(9-16)17-3/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103540233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).