4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine

C12H13ClN4OS — CID 58075056

IUPAC4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine
SMILESCc1sc(Cl)nc1-c1nccc(N2CCOCC2)n1
InChIInChI=1S/C12H13ClN4OS/c1-8-10(16-12(13)19-8)11-14-3-2-9(15-11)17-4-6-18-7-5-17/h2-3H,4-7H2,1H3
InChIKeyAGEQMOGXFZGUTJ-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.40
Rot. Bonds2

About 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine

4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 58075056) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine
PubChem CID58075056
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine
SMILESCc1sc(Cl)nc1-c1nccc(N2CCOCC2)n1
InChIInChI=1S/C12H13ClN4OS/c1-8-10(16-12(13)19-8)11-14-3-2-9(15-11)17-4-6-18-7-5-17/h2-3H,4-7H2,1H3
InChIKeyAGEQMOGXFZGUTJ-UHFFFAOYSA-N
XLogP2.40
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine (CID 58075056) is 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine is Cc1sc(Cl)nc1-c1nccc(N2CCOCC2)n1.
What is the InChIKey of 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine?
The InChIKey is AGEQMOGXFZGUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-8-10(16-12(13)19-8)11-14-3-2-9(15-11)17-4-6-18-7-5-17/h2-3H,4-7H2,1H3.
What are the key properties of 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine?
4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 296.78 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-5-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 58075056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).