7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine

C10H10ClN3OS — CID 132588404

IUPAC7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1ncnc2sc(C3CCOCC3)nc12
InChIInChI=1S/C10H10ClN3OS/c11-8-7-10(13-5-12-8)16-9(14-7)6-1-3-15-4-2-6/h5-6H,1-4H2
InChIKeyQMRPYEVUFGCYSM-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.63
Rot. Bonds1

About 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine

7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 132588404) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID132588404
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1ncnc2sc(C3CCOCC3)nc12
InChIInChI=1S/C10H10ClN3OS/c11-8-7-10(13-5-12-8)16-9(14-7)6-1-3-15-4-2-6/h5-6H,1-4H2
InChIKeyQMRPYEVUFGCYSM-UHFFFAOYSA-N
XLogP2.63
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine (CID 132588404) is 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine is Clc1ncnc2sc(C3CCOCC3)nc12.
What is the InChIKey of 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is QMRPYEVUFGCYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-8-7-10(13-5-12-8)16-9(14-7)6-1-3-15-4-2-6/h5-6H,1-4H2.
What are the key properties of 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine?
7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 255.73 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 132588404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).