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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 611524
CID 611524
CID 14359388
CID 14359388
CID 56766774
CID 56766774
CID 76662195
CID 76662195
CID 10351759
CID 10351759
CID 137964151
CID 137964151
CID 602661
CID 602661
CID 10953913
CID 10953913
CID 53439265
CID 53439265
CID 56949542
CID 56949542
CID 69242763
CID 69242763
CID 22649051
CID 22649051

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).