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

C5H3ClN4S — CID 59011962

IUPAC7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESNc1nc2c(Cl)ncnc2s1
InChIInChI=1S/C5H3ClN4S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H2,7,10)
InChIKeyUYOPZAUUUUNIFV-UHFFFAOYSA-N
MW186.63 g/mol
LogP1.32
Rot. Bonds

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

7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 59011962) has the molecular formula C5H3ClN4S and a molecular weight of 186.63 g/mol. Its IUPAC name is 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID59011962
Molecular FormulaC5H3ClN4S
Molecular Weight186.63 g/mol
Exact Mass185.98
IUPAC Name7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESNc1nc2c(Cl)ncnc2s1
InChIInChI=1S/C5H3ClN4S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H2,7,10)
InChIKeyUYOPZAUUUUNIFV-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 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 59011962) is 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Nc1nc2c(Cl)ncnc2s1.
What is the InChIKey of 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is UYOPZAUUUUNIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H2,7,10).
What are the key properties of 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-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 7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 59011962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).