7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine

C6H2ClF2N3S — CID 86732277

IUPAC7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESFC(F)c1nc2c(Cl)ncnc2s1
InChIInChI=1S/C6H2ClF2N3S/c7-3-2-5(11-1-10-3)13-6(12-2)4(8)9/h1,4H
InChIKeyIHQNDGGDVOEBFB-UHFFFAOYSA-N
MW221.62 g/mol
LogP2.68
Rot. Bonds1

About 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine

7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 86732277) has the molecular formula C6H2ClF2N3S and a molecular weight of 221.62 g/mol. Its IUPAC name is 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID86732277
Molecular FormulaC6H2ClF2N3S
Molecular Weight221.62 g/mol
Exact Mass220.96
IUPAC Name7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
SMILESFC(F)c1nc2c(Cl)ncnc2s1
InChIInChI=1S/C6H2ClF2N3S/c7-3-2-5(11-1-10-3)13-6(12-2)4(8)9/h1,4H
InChIKeyIHQNDGGDVOEBFB-UHFFFAOYSA-N
XLogP2.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.62
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine (CID 86732277) is 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine is FC(F)c1nc2c(Cl)ncnc2s1.
What is the InChIKey of 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is IHQNDGGDVOEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2N3S/c7-3-2-5(11-1-10-3)13-6(12-2)4(8)9/h1,4H.
What are the key properties of 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine?
7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 221.62 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 86732277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).