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

C15H27N3OS — CID 107509487

IUPACN-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1nc(N2CCCC2C)sc1CNCC(C)C
InChIInChI=1S/C15H27N3OS/c1-11(2)8-16-9-14-13(10-19-4)17-15(20-14)18-7-5-6-12(18)3/h11-12,16H,5-10H2,1-4H3
InChIKeyGIQACRSTCONRLH-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.02
Rot. Bonds7

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

N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107509487) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID107509487
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOCc1nc(N2CCCC2C)sc1CNCC(C)C
InChIInChI=1S/C15H27N3OS/c1-11(2)8-16-9-14-13(10-19-4)17-15(20-14)18-7-5-6-12(18)3/h11-12,16H,5-10H2,1-4H3
InChIKeyGIQACRSTCONRLH-UHFFFAOYSA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107510717
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62766160
1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510540
4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107508919
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
2-methoxy-N-[[2-(2-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381395
N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63620869
N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82433326
1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 82441861
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509219
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 107509487) is N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is COCc1nc(N2CCCC2C)sc1CNCC(C)C.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GIQACRSTCONRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-11(2)8-16-9-14-13(10-19-4)17-15(20-14)18-7-5-6-12(18)3/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107509487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).