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

C16H16F3N5O2S — CID 122438567

IUPACN-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cn3nc(C)cc3C(F)(F)F)cc(=O)n12
InChIInChI=1S/C16H16F3N5O2S/c1-4-20-14(26)13-9(3)27-15-21-10(6-12(25)24(13)15)7-23-11(16(17,18)19)5-8(2)22-23/h5-6H,4,7H2,1-3H3,(H,20,26)
InChIKeyUCWXTTHKZFQSRV-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.39
Rot. Bonds4

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

N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 122438567) has the molecular formula C16H16F3N5O2S and a molecular weight of 399.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID122438567
Molecular FormulaC16H16F3N5O2S
Molecular Weight399.40 g/mol
Exact Mass399.10
IUPAC NameN-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cn3nc(C)cc3C(F)(F)F)cc(=O)n12
InChIInChI=1S/C16H16F3N5O2S/c1-4-20-14(26)13-9(3)27-15-21-10(6-12(25)24(13)15)7-23-11(16(17,18)19)5-8(2)22-23/h5-6H,4,7H2,1-3H3,(H,20,26)
InChIKeyUCWXTTHKZFQSRV-UHFFFAOYSA-N
XLogP2.39
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 122438567) is N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cn3nc(C)cc3C(F)(F)F)cc(=O)n12.
What is the InChIKey of N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is UCWXTTHKZFQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S/c1-4-20-14(26)13-9(3)27-15-21-10(6-12(25)24(13)15)7-23-11(16(17,18)19)5-8(2)22-23/h5-6H,4,7H2,1-3H3,(H,20,26).
What are the key properties of N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-7-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122438567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).