7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C10H8F3N3O2S2 — CID 126469468

IUPAC7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2S2/c1-19-7-5(6(17)14-4-10(11,12)13)8(18)16-2-3-20-9(16)15-7/h2-3H,4H2,1H3,(H,14,17)
InChIKeyPOMCPOUZYXRPIN-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.77
Rot. Bonds3

About 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469468) has the molecular formula C10H8F3N3O2S2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469468
Molecular FormulaC10H8F3N3O2S2
Molecular Weight323.32 g/mol
Exact Mass323.00
IUPAC Name7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H8F3N3O2S2/c1-19-7-5(6(17)14-4-10(11,12)13)8(18)16-2-3-20-9(16)15-7/h2-3H,4H2,1H3,(H,14,17)
InChIKeyPOMCPOUZYXRPIN-UHFFFAOYSA-N
XLogP1.77
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469468) is 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is POMCPOUZYXRPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S2/c1-19-7-5(6(17)14-4-10(11,12)13)8(18)16-2-3-20-9(16)15-7/h2-3H,4H2,1H3,(H,14,17).
What are the key properties of 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).