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

C16H16F3N5O3S — CID 144826066

IUPACN-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(OC)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12
InChIInChI=1S/C16H16F3N5O3S/c1-4-20-13(26)12-14(27-3)28-15-21-9(6-11(25)24(12)15)7-23-8(2)5-10(22-23)16(17,18)19/h5-6H,4,7H2,1-3H3,(H,20,26)
InChIKeyKFYJNGZHGAACGI-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.09
Rot. Bonds5

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

N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 144826066) has the molecular formula C16H16F3N5O3S and a molecular weight of 415.40 g/mol. Its IUPAC name is N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID144826066
Molecular FormulaC16H16F3N5O3S
Molecular Weight415.40 g/mol
Exact Mass415.09
IUPAC NameN-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(OC)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12
InChIInChI=1S/C16H16F3N5O3S/c1-4-20-13(26)12-14(27-3)28-15-21-9(6-11(25)24(12)15)7-23-8(2)5-10(22-23)16(17,18)19/h5-6H,4,7H2,1-3H3,(H,20,26)
InChIKeyKFYJNGZHGAACGI-UHFFFAOYSA-N
XLogP2.09
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 144826066) is N-ethyl-2-methoxy-7-[[5-methyl-3-(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-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(OC)sc2nc(Cn3nc(C(F)(F)F)cc3C)cc(=O)n12.
What is the InChIKey of N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is KFYJNGZHGAACGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O3S/c1-4-20-13(26)12-14(27-3)28-15-21-9(6-11(25)24(12)15)7-23-8(2)5-10(22-23)16(17,18)19/h5-6H,4,7H2,1-3H3,(H,20,26).
What are the key properties of N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-7-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144826066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).