(2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine

C16H21N3O2S — CID 164639844

IUPAC(2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine
SMILESCC(C)OC[C@H]1CN(c2nc(-c3cccnc3)cs2)CCO1
InChIInChI=1S/C16H21N3O2S/c1-12(2)21-10-14-9-19(6-7-20-14)16-18-15(11-22-16)13-4-3-5-17-8-13/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyQCFWAJKTRSHAPG-CQSZACIVSA-N
MW319.43 g/mol
LogP2.84
Rot. Bonds5

About (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine

(2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine (PubChem CID 164639844) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine
PubChem CID164639844
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine
SMILESCC(C)OC[C@H]1CN(c2nc(-c3cccnc3)cs2)CCO1
InChIInChI=1S/C16H21N3O2S/c1-12(2)21-10-14-9-19(6-7-20-14)16-18-15(11-22-16)13-4-3-5-17-8-13/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyQCFWAJKTRSHAPG-CQSZACIVSA-N
XLogP2.84
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine (CID 164639844) is (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine is CC(C)OC[C@H]1CN(c2nc(-c3cccnc3)cs2)CCO1.
What is the InChIKey of (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
The InChIKey is QCFWAJKTRSHAPG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12(2)21-10-14-9-19(6-7-20-14)16-18-15(11-22-16)13-4-3-5-17-8-13/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
(2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine has a molecular weight of 319.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(propan-2-yloxymethyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 164639844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).