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

C5H2ClN3S — CID 76662195

IUPAC7-chloro-[1,3]thiazolo[4,5-d]pyrimidine
SMILESClc1ncnc2ncsc12
InChIInChI=1S/C5H2ClN3S/c6-4-3-5(8-1-7-4)9-2-10-3/h1-2H
InChIKeyHEDFORGLTJFFOL-UHFFFAOYSA-N
MW171.61 g/mol
LogP1.74
Rot. Bonds

About 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine

7-chloro-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 76662195) has the molecular formula C5H2ClN3S and a molecular weight of 171.61 g/mol. Its IUPAC name is 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID76662195
Molecular FormulaC5H2ClN3S
Molecular Weight171.61 g/mol
Exact Mass170.97
IUPAC Name7-chloro-[1,3]thiazolo[4,5-d]pyrimidine
SMILESClc1ncnc2ncsc12
InChIInChI=1S/C5H2ClN3S/c6-4-3-5(8-1-7-4)9-2-10-3/h1-2H
InChIKeyHEDFORGLTJFFOL-UHFFFAOYSA-N
XLogP1.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.61
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine (CID 76662195) is 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine is Clc1ncnc2ncsc12.
What is the InChIKey of 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is HEDFORGLTJFFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3S/c6-4-3-5(8-1-7-4)9-2-10-3/h1-2H.
What are the key properties of 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine?
7-chloro-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 171.61 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 76662195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).