1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C15H26N4OS — CID 107510357

IUPAC1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCC(N3CCCC3)C2)nc1COC
InChIInChI=1S/C15H26N4OS/c1-16-9-14-13(11-20-2)17-15(21-14)19-8-5-12(10-19)18-6-3-4-7-18/h12,16H,3-11H2,1-2H3
InChIKeyLTSVXLUZRYVXMO-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.68
Rot. Bonds6

About 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 107510357) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID107510357
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCC(N3CCCC3)C2)nc1COC
InChIInChI=1S/C15H26N4OS/c1-16-9-14-13(11-20-2)17-15(21-14)19-8-5-12(10-19)18-6-3-4-7-18/h12,16H,3-11H2,1-2H3
InChIKeyLTSVXLUZRYVXMO-UHFFFAOYSA-N
XLogP1.68
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-cyclopropylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510256
1-[2-(3,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510754
1-[4-(methoxymethyl)-2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510705
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510641
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511101
N-[[4-ethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63519927
N-methyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63168681
1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510540
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107510353
2-methoxy-N-[[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510835
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107510717

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 107510357) is 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(N2CCC(N3CCCC3)C2)nc1COC.
What is the InChIKey of 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is LTSVXLUZRYVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-16-9-14-13(11-20-2)17-15(21-14)19-8-5-12(10-19)18-6-3-4-7-18/h12,16H,3-11H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 310.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 107510357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).