2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine

C19H27N3OS2 — CID 47810515

IUPAC2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine
SMILESCC1CN(CC2CCCN2Cc2csc(-c3cccs3)n2)CC(C)O1
InChIInChI=1S/C19H27N3OS2/c1-14-9-21(10-15(2)23-14)12-17-5-3-7-22(17)11-16-13-25-19(20-16)18-6-4-8-24-18/h4,6,8,13-15,17H,3,5,7,9-12H2,1-2H3
InChIKeyOGVOVWSLRJUCBY-UHFFFAOYSA-N
MW377.58 g/mol
LogP3.95
Rot. Bonds5

About 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine

2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine (PubChem CID 47810515) has the molecular formula C19H27N3OS2 and a molecular weight of 377.58 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine
PubChem CID47810515
Molecular FormulaC19H27N3OS2
Molecular Weight377.58 g/mol
Exact Mass377.16
IUPAC Name2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine
SMILESCC1CN(CC2CCCN2Cc2csc(-c3cccs3)n2)CC(C)O1
InChIInChI=1S/C19H27N3OS2/c1-14-9-21(10-15(2)23-14)12-17-5-3-7-22(17)11-16-13-25-19(20-16)18-6-4-8-24-18/h4,6,8,13-15,17H,3,5,7,9-12H2,1-2H3
InChIKeyOGVOVWSLRJUCBY-UHFFFAOYSA-N
XLogP3.95
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine (CID 47810515) is 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine is CC1CN(CC2CCCN2Cc2csc(-c3cccs3)n2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is OGVOVWSLRJUCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS2/c1-14-9-21(10-15(2)23-14)12-17-5-3-7-22(17)11-16-13-25-19(20-16)18-6-4-8-24-18/h4,6,8,13-15,17H,3,5,7,9-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine?
2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 377.58 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 47810515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).