1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea

C20H19F3N8O2S — CID 134208973

IUPAC1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCCc1nc2c(C(C)OC)c(NC(=O)Nc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C20H19F3N8O2S/c1-4-14-30-16-15(10(2)33-3)13(9-25-18(16)34-14)29-19(32)28-11-7-12(20(21,22)23)17(24-8-11)31-26-5-6-27-31/h5-10H,4H2,1-3H3,(H2,28,29,32)
InChIKeyKJVQCTVRCFGPJL-UHFFFAOYSA-N
MW492.49 g/mol
LogP4.60
Rot. Bonds6

About 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea

1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 134208973) has the molecular formula C20H19F3N8O2S and a molecular weight of 492.49 g/mol. Its IUPAC name is 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID134208973
Molecular FormulaC20H19F3N8O2S
Molecular Weight492.49 g/mol
Exact Mass492.13
IUPAC Name1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCCc1nc2c(C(C)OC)c(NC(=O)Nc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C20H19F3N8O2S/c1-4-14-30-16-15(10(2)33-3)13(9-25-18(16)34-14)29-19(32)28-11-7-12(20(21,22)23)17(24-8-11)31-26-5-6-27-31/h5-10H,4H2,1-3H3,(H2,28,29,32)
InChIKeyKJVQCTVRCFGPJL-UHFFFAOYSA-N
XLogP4.60
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea 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 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (CID 134208973) is 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is CCc1nc2c(C(C)OC)c(NC(=O)Nc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1.
What is the InChIKey of 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is KJVQCTVRCFGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O2S/c1-4-14-30-16-15(10(2)33-3)13(9-25-18(16)34-14)29-19(32)28-11-7-12(20(21,22)23)17(24-8-11)31-26-5-6-27-31/h5-10H,4H2,1-3H3,(H2,28,29,32).
What are the key properties of 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 492.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-7-(1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 134208973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).