2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine

C5HBrClN3S — CID 146049415

IUPAC2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1ncc2nc(Br)sc2n1
InChIInChI=1S/C5HBrClN3S/c6-4-9-2-1-8-5(7)10-3(2)11-4/h1H
InChIKeyTUXIEALZKDGHFT-UHFFFAOYSA-N
MW250.51 g/mol
LogP2.50
Rot. Bonds

About 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine

2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 146049415) has the molecular formula C5HBrClN3S and a molecular weight of 250.51 g/mol. Its IUPAC name is 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID146049415
Molecular FormulaC5HBrClN3S
Molecular Weight250.51 g/mol
Exact Mass248.88
IUPAC Name2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1ncc2nc(Br)sc2n1
InChIInChI=1S/C5HBrClN3S/c6-4-9-2-1-8-5(7)10-3(2)11-4/h1H
InChIKeyTUXIEALZKDGHFT-UHFFFAOYSA-N
XLogP2.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine (CID 146049415) is 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine is Clc1ncc2nc(Br)sc2n1.
What is the InChIKey of 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is TUXIEALZKDGHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrClN3S/c6-4-9-2-1-8-5(7)10-3(2)11-4/h1H.
What are the key properties of 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine?
2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 250.51 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 146049415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).