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

C14H25N3OS — CID 107510540

IUPAC1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCCC2C(C)C)nc1COC
InChIInChI=1S/C14H25N3OS/c1-10(2)12-6-5-7-17(12)14-16-11(9-18-4)13(19-14)8-15-3/h10,12,15H,5-9H2,1-4H3
InChIKeyCDXAAMUAZCKLOY-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.63
Rot. Bonds6

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

1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 107510540) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID107510540
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCCC2C(C)C)nc1COC
InChIInChI=1S/C14H25N3OS/c1-10(2)12-6-5-7-17(12)14-16-11(9-18-4)13(19-14)8-15-3/h10,12,15H,5-9H2,1-4H3
InChIKeyCDXAAMUAZCKLOY-UHFFFAOYSA-N
XLogP2.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 107510540) is 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(N2CCCC2C(C)C)nc1COC.
What is the InChIKey of 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CDXAAMUAZCKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)12-6-5-7-17(12)14-16-11(9-18-4)13(19-14)8-15-3/h10,12,15H,5-9H2,1-4H3.
What are the key properties of 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 107510540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).