N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H25N3OS — CID 103540334

IUPACN-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOC1CCN(c2nc(C(C)C)c(CNC3CC3)s2)C1
InChIInChI=1S/C15H25N3OS/c1-10(2)14-13(8-16-11-4-5-11)20-15(17-14)18-7-6-12(9-18)19-3/h10-12,16H,4-9H2,1-3H3
InChIKeyRWUUQUJZRBEXGF-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.74
Rot. Bonds6

About N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 103540334) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID103540334
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOC1CCN(c2nc(C(C)C)c(CNC3CC3)s2)C1
InChIInChI=1S/C15H25N3OS/c1-10(2)14-13(8-16-11-4-5-11)20-15(17-14)18-7-6-12(9-18)19-3/h10-12,16H,4-9H2,1-3H3
InChIKeyRWUUQUJZRBEXGF-UHFFFAOYSA-N
XLogP2.74
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79395879
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
1-[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102968508
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392674
N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102968538
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 102968507
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62768888
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767596
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 79392943
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392792

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 103540334) is N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is COC1CCN(c2nc(C(C)C)c(CNC3CC3)s2)C1.
What is the InChIKey of N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is RWUUQUJZRBEXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)14-13(8-16-11-4-5-11)20-15(17-14)18-7-6-12(9-18)19-3/h10-12,16H,4-9H2,1-3H3.
What are the key properties of N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 295.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103540334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).