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

C9H8Cl2N4OS — CID 25255101

IUPAC4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2sc(Cl)nc2n1
InChIInChI=1S/C9H8Cl2N4OS/c10-8-12-6-5(17-9(11)13-6)7(14-8)15-1-3-16-4-2-15/h1-4H2
InChIKeyMBMSIXRYINXXCZ-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.23
Rot. Bonds1

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

4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (PubChem CID 25255101) has the molecular formula C9H8Cl2N4OS and a molecular weight of 291.16 g/mol. Its IUPAC name is 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
PubChem CID25255101
Molecular FormulaC9H8Cl2N4OS
Molecular Weight291.16 g/mol
Exact Mass289.98
IUPAC Name4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2sc(Cl)nc2n1
InChIInChI=1S/C9H8Cl2N4OS/c10-8-12-6-5(17-9(11)13-6)7(14-8)15-1-3-16-4-2-15/h1-4H2
InChIKeyMBMSIXRYINXXCZ-UHFFFAOYSA-N
XLogP2.23
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine (CID 25255101) is 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is Clc1nc(N2CCOCC2)c2sc(Cl)nc2n1.
What is the InChIKey of 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
The InChIKey is MBMSIXRYINXXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4OS/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-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine?
4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine has a molecular weight of 291.16 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 25255101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).