7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H16F3N3O2S2 — CID 126469559

IUPAC7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1c(SCC)nc2scc(C(F)(F)F)n2c1=O
InChIInChI=1S/C14H16F3N3O2S2/c1-4-6-19(3)11(21)9-10(23-5-2)18-13-20(12(9)22)8(7-24-13)14(15,16)17/h7H,4-6H2,1-3H3
InChIKeyCMSBSGQUHFJVNO-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.37
Rot. Bonds5

About 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469559) has the molecular formula C14H16F3N3O2S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469559
Molecular FormulaC14H16F3N3O2S2
Molecular Weight379.43 g/mol
Exact Mass379.06
IUPAC Name7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1c(SCC)nc2scc(C(F)(F)F)n2c1=O
InChIInChI=1S/C14H16F3N3O2S2/c1-4-6-19(3)11(21)9-10(23-5-2)18-13-20(12(9)22)8(7-24-13)14(15,16)17/h7H,4-6H2,1-3H3
InChIKeyCMSBSGQUHFJVNO-UHFFFAOYSA-N
XLogP3.37
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469559) is 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(C)C(=O)c1c(SCC)nc2scc(C(F)(F)F)n2c1=O.
What is the InChIKey of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CMSBSGQUHFJVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S2/c1-4-6-19(3)11(21)9-10(23-5-2)18-13-20(12(9)22)8(7-24-13)14(15,16)17/h7H,4-6H2,1-3H3.
What are the key properties of 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).