4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine

C9H6ClN5S — CID 68776036

IUPAC4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C9H6ClN5S/c10-7-6(5-1-2-12-8(11)13-5)15-3-4-16-9(15)14-7/h1-4H,(H2,11,12,13)
InChIKeyXNBRJQPDYLGDMO-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.09
Rot. Bonds1

About 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine

4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine (PubChem CID 68776036) has the molecular formula C9H6ClN5S and a molecular weight of 251.70 g/mol. Its IUPAC name is 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
PubChem CID68776036
Molecular FormulaC9H6ClN5S
Molecular Weight251.70 g/mol
Exact Mass251.00
IUPAC Name4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C9H6ClN5S/c10-7-6(5-1-2-12-8(11)13-5)15-3-4-16-9(15)14-7/h1-4H,(H2,11,12,13)
InChIKeyXNBRJQPDYLGDMO-UHFFFAOYSA-N
XLogP2.09
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine (CID 68776036) is 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine is Nc1nccc(-c2c(Cl)nc3sccn23)n1.
What is the InChIKey of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is XNBRJQPDYLGDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5S/c10-7-6(5-1-2-12-8(11)13-5)15-3-4-16-9(15)14-7/h1-4H,(H2,11,12,13).
What are the key properties of 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine?
4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 251.70 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 68776036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).