N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C16H29N3OS — CID 107510717

IUPACN-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCN(c2nc(COC)c(CNCC(C)C)s2)C1
InChIInChI=1S/C16H29N3OS/c1-5-13-6-7-19(10-13)16-18-14(11-20-4)15(21-16)9-17-8-12(2)3/h12-13,17H,5-11H2,1-4H3
InChIKeyPGGILCUFFWGCMX-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.27
Rot. Bonds8

About N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107510717) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID107510717
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCN(c2nc(COC)c(CNCC(C)C)s2)C1
InChIInChI=1S/C16H29N3OS/c1-5-13-6-7-19(10-13)16-18-14(11-20-4)15(21-16)9-17-8-12(2)3/h12-13,17H,5-11H2,1-4H3
InChIKeyPGGILCUFFWGCMX-UHFFFAOYSA-N
XLogP3.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107509487
N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767813
1-[4-(methoxymethyl)-2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510705
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107510353
N-[[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62768502
2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510835
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392674
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510301
1-[2-(3,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510754
N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63620869
N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510553

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 107510717) is N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCC1CCN(c2nc(COC)c(CNCC(C)C)s2)C1.
What is the InChIKey of N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PGGILCUFFWGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-13-6-7-19(10-13)16-18-14(11-20-4)15(21-16)9-17-8-12(2)3/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107510717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).