4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine

C9H8ClIN4OS — CID 25252763

IUPAC4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2sc(I)nc2n1
InChIInChI=1S/C9H8ClIN4OS/c10-8-12-6-5(17-9(11)13-6)7(14-8)15-1-3-16-4-2-15/h1-4H2
InChIKeyOIVGYFNTFXJUGE-UHFFFAOYSA-N
MW382.61 g/mol
LogP2.18
Rot. Bonds1

About 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine

4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (PubChem CID 25252763) has the molecular formula C9H8ClIN4OS and a molecular weight of 382.61 g/mol. Its IUPAC name is 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
PubChem CID25252763
Molecular FormulaC9H8ClIN4OS
Molecular Weight382.61 g/mol
Exact Mass381.92
IUPAC Name4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2sc(I)nc2n1
InChIInChI=1S/C9H8ClIN4OS/c10-8-12-6-5(17-9(11)13-6)7(14-8)15-1-3-16-4-2-15/h1-4H2
InChIKeyOIVGYFNTFXJUGE-UHFFFAOYSA-N
XLogP2.18
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-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-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (CID 25252763) is 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is Clc1nc(N2CCOCC2)c2sc(I)nc2n1.
What is the InChIKey of 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The InChIKey is OIVGYFNTFXJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN4OS/c10-8-12-6-5(17-9(11)13-6)7(14-8)15-1-3-16-4-2-15/h1-4H2.
What are the key properties of 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine has a molecular weight of 382.61 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-iodo-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 25252763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).