5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine

C13H23N3OS — CID 79774542

IUPAC5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCC(COC)C2)s1
InChIInChI=1S/C13H23N3OS/c1-3-5-14-13-15-7-12(18-13)9-16-6-4-11(8-16)10-17-2/h7,11H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyVVZMYLNMYXEDQZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.43
Rot. Bonds7

About 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774542) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774542
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCC(COC)C2)s1
InChIInChI=1S/C13H23N3OS/c1-3-5-14-13-15-7-12(18-13)9-16-6-4-11(8-16)10-17-2/h7,11H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyVVZMYLNMYXEDQZ-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine (CID 79774542) is 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN2CCC(COC)C2)s1.
What is the InChIKey of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is VVZMYLNMYXEDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-5-14-13-15-7-12(18-13)9-16-6-4-11(8-16)10-17-2/h7,11H,3-6,8-10H2,1-2H3,(H,14,15).
What are the key properties of 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).