3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine

C12H19N3OS — CID 116966504

IUPAC3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESCN1CCC(c2csc(C3COCCN3)n2)C1
InChIInChI=1S/C12H19N3OS/c1-15-4-2-9(6-15)11-8-17-12(14-11)10-7-16-5-3-13-10/h8-10,13H,2-7H2,1H3
InChIKeySJFLKBBGKZVESL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.22
Rot. Bonds2

About 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine

3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 116966504) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID116966504
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESCN1CCC(c2csc(C3COCCN3)n2)C1
InChIInChI=1S/C12H19N3OS/c1-15-4-2-9(6-15)11-8-17-12(14-11)10-7-16-5-3-13-10/h8-10,13H,2-7H2,1H3
InChIKeySJFLKBBGKZVESL-UHFFFAOYSA-N
XLogP1.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
3-(4-cyclopentyl-1,3-thiazol-2-yl)morpholine;hydrochloride
CID 120581945
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine
CID 102748188
3-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine
CID 102748197
(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295
4-cyclopentyl-2-piperidin-2-yl-1,3-thiazole
CID 62634064
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine
CID 102748231

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine (CID 116966504) is 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine is CN1CCC(c2csc(C3COCCN3)n2)C1.
What is the InChIKey of 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is SJFLKBBGKZVESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15-4-2-9(6-15)11-8-17-12(14-11)10-7-16-5-3-13-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine?
3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 253.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 116966504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).