2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid

C19H16F3N7O2S2 — CID 58334038

IUPAC2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(C(=O)O)cs3)nc2s1
InChIInChI=1S/C19H16F3N7O2S2/c1-2-3-9-6-10-14(28-4-5-29-12(7-28)26-27-18(29)19(20,21)22)24-13(25-15(10)33-9)16-23-11(8-32-16)17(30)31/h6,8H,2-5,7H2,1H3,(H,30,31)
InChIKeyOFZIDSMWMBDJOX-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.10
Rot. Bonds5

About 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid

2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 58334038) has the molecular formula C19H16F3N7O2S2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID58334038
Molecular FormulaC19H16F3N7O2S2
Molecular Weight495.51 g/mol
Exact Mass495.08
IUPAC Name2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(C(=O)O)cs3)nc2s1
InChIInChI=1S/C19H16F3N7O2S2/c1-2-3-9-6-10-14(28-4-5-29-12(7-28)26-27-18(29)19(20,21)22)24-13(25-15(10)33-9)16-23-11(8-32-16)17(30)31/h6,8H,2-5,7H2,1H3,(H,30,31)
InChIKeyOFZIDSMWMBDJOX-UHFFFAOYSA-N
XLogP4.10
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid 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 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid (CID 58334038) is 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3nc(C(=O)O)cs3)nc2s1.
What is the InChIKey of 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OFZIDSMWMBDJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O2S2/c1-2-3-9-6-10-14(28-4-5-29-12(7-28)26-27-18(29)19(20,21)22)24-13(25-15(10)33-9)16-23-11(8-32-16)17(30)31/h6,8H,2-5,7H2,1H3,(H,30,31).
What are the key properties of 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 495.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58334038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).