5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C12H19N3OS — CID 120904133

IUPAC5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(C3CCOC3)C2)s1
InChIInChI=1S/C12H19N3OS/c13-12-14-5-11(17-12)7-15-3-1-9(6-15)10-2-4-16-8-10/h5,9-10H,1-4,6-8H2,(H2,13,14)
InChIKeyWDKKCZFEMBGHDF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.58
Rot. Bonds3

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

5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120904133) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120904133
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(C3CCOC3)C2)s1
InChIInChI=1S/C12H19N3OS/c13-12-14-5-11(17-12)7-15-3-1-9(6-15)10-2-4-16-8-10/h5,9-10H,1-4,6-8H2,(H2,13,14)
InChIKeyWDKKCZFEMBGHDF-UHFFFAOYSA-N
XLogP1.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120904133) is 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(C3CCOC3)C2)s1.
What is the InChIKey of 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is WDKKCZFEMBGHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-12-14-5-11(17-12)7-15-3-1-9(6-15)10-2-4-16-8-10/h5,9-10H,1-4,6-8H2,(H2,13,14).
What are the key properties of 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 253.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(oxolan-3-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120904133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).