4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine

C13H21N3OS — CID 79665423

IUPAC4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
SMILESCC(C)N1CCOC(c2nc3c(s2)CNCC3)C1
InChIInChI=1S/C13H21N3OS/c1-9(2)16-5-6-17-11(8-16)13-15-10-3-4-14-7-12(10)18-13/h9,11,14H,3-8H2,1-2H3
InChIKeyMIYRIUDPYYSFAV-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.57
Rot. Bonds2

About 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine

4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine (PubChem CID 79665423) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
PubChem CID79665423
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
SMILESCC(C)N1CCOC(c2nc3c(s2)CNCC3)C1
InChIInChI=1S/C13H21N3OS/c1-9(2)16-5-6-17-11(8-16)13-15-10-3-4-14-7-12(10)18-13/h9,11,14H,3-8H2,1-2H3
InChIKeyMIYRIUDPYYSFAV-UHFFFAOYSA-N
XLogP1.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
The IUPAC name of 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine (CID 79665423) is 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine.
What is the SMILES notation for 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
The canonical SMILES for 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine is CC(C)N1CCOC(c2nc3c(s2)CNCC3)C1.
What is the InChIKey of 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
The InChIKey is MIYRIUDPYYSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)16-5-6-17-11(8-16)13-15-10-3-4-14-7-12(10)18-13/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine?
4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine has a molecular weight of 267.40 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine is sourced from PubChem (CID 79665423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).