2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C5H3ClN4S — CID 14505759

IUPAC2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2nc(Cl)sc12
InChIInChI=1S/C5H3ClN4S/c6-5-10-4-2(11-5)3(7)8-1-9-4/h1H,(H2,7,8,9)
InChIKeyZYBSHUFTHAOMSD-UHFFFAOYSA-N
MW186.63 g/mol
LogP1.32
Rot. Bonds

About 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine

2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 14505759) has the molecular formula C5H3ClN4S and a molecular weight of 186.63 g/mol. Its IUPAC name is 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID14505759
Molecular FormulaC5H3ClN4S
Molecular Weight186.63 g/mol
Exact Mass185.98
IUPAC Name2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2nc(Cl)sc12
InChIInChI=1S/C5H3ClN4S/c6-5-10-4-2(11-5)3(7)8-1-9-4/h1H,(H2,7,8,9)
InChIKeyZYBSHUFTHAOMSD-UHFFFAOYSA-N
XLogP1.32
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.63
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 14505759) is 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is Nc1ncnc2nc(Cl)sc12.
What is the InChIKey of 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZYBSHUFTHAOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4S/c6-5-10-4-2(11-5)3(7)8-1-9-4/h1H,(H2,7,8,9).
What are the key properties of 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine?
2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 186.63 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 14505759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).