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

C14H16F3N3O2S2 — CID 126469977

IUPAC7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2scc(C(F)(F)F)n2c(=O)c1C(=O)N(C)C(C)C
InChIInChI=1S/C14H16F3N3O2S2/c1-5-23-10-9(11(21)19(4)7(2)3)12(22)20-8(14(15,16)17)6-24-13(20)18-10/h6-7H,5H2,1-4H3
InChIKeyIPARGNKXGKOEKC-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.37
Rot. Bonds4

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

7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469977) 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-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469977
Molecular FormulaC14H16F3N3O2S2
Molecular Weight379.43 g/mol
Exact Mass379.06
IUPAC Name7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2scc(C(F)(F)F)n2c(=O)c1C(=O)N(C)C(C)C
InChIInChI=1S/C14H16F3N3O2S2/c1-5-23-10-9(11(21)19(4)7(2)3)12(22)20-8(14(15,16)17)6-24-13(20)18-10/h6-7H,5H2,1-4H3
InChIKeyIPARGNKXGKOEKC-UHFFFAOYSA-N
XLogP3.37
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469977) is 7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCSc1nc2scc(C(F)(F)F)n2c(=O)c1C(=O)N(C)C(C)C.
What is the InChIKey of 7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IPARGNKXGKOEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S2/c1-5-23-10-9(11(21)19(4)7(2)3)12(22)20-8(14(15,16)17)6-24-13(20)18-10/h6-7H,5H2,1-4H3.
What are the key properties of 7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 3.37, 4 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-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).