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

C9H9ClN4OS — CID 139316829

IUPAC4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine
SMILESClc1ncc2nc(N3CCOCC3)sc2n1
InChIInChI=1S/C9H9ClN4OS/c10-8-11-5-6-7(13-8)16-9(12-6)14-1-3-15-4-2-14/h5H,1-4H2
InChIKeyNLLMCVAWCQDUTQ-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.58
Rot. Bonds1

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

4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine (PubChem CID 139316829) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine
PubChem CID139316829
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine
SMILESClc1ncc2nc(N3CCOCC3)sc2n1
InChIInChI=1S/C9H9ClN4OS/c10-8-11-5-6-7(13-8)16-9(12-6)14-1-3-15-4-2-14/h5H,1-4H2
InChIKeyNLLMCVAWCQDUTQ-UHFFFAOYSA-N
XLogP1.58
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine?
The IUPAC name of 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine (CID 139316829) is 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine is Clc1ncc2nc(N3CCOCC3)sc2n1.
What is the InChIKey of 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine?
The InChIKey is NLLMCVAWCQDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c10-8-11-5-6-7(13-8)16-9(12-6)14-1-3-15-4-2-14/h5H,1-4H2.
What are the key properties of 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine?
4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine has a molecular weight of 256.72 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 139316829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).