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

C20H19F3N8O2S — CID 134208953

IUPAC1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOC(C)(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12
InChIInChI=1S/C20H19F3N8O2S/c1-10-28-15-14(19(2,3)33-4)13(9-25-17(15)34-10)30-18(32)29-11-7-12(20(21,22)23)16(24-8-11)31-26-5-6-27-31/h5-9H,1-4H3,(H2,29,30,32)
InChIKeyJOUJROFSDMNFRF-UHFFFAOYSA-N
MW492.49 g/mol
LogP4.52
Rot. Bonds5

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

1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 134208953) has the molecular formula C20H19F3N8O2S and a molecular weight of 492.49 g/mol. Its IUPAC name is 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID134208953
Molecular FormulaC20H19F3N8O2S
Molecular Weight492.49 g/mol
Exact Mass492.13
IUPAC Name1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
SMILESCOC(C)(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12
InChIInChI=1S/C20H19F3N8O2S/c1-10-28-15-14(19(2,3)33-4)13(9-25-17(15)34-10)30-18(32)29-11-7-12(20(21,22)23)16(24-8-11)31-26-5-6-27-31/h5-9H,1-4H3,(H2,29,30,32)
InChIKeyJOUJROFSDMNFRF-UHFFFAOYSA-N
XLogP4.52
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea (CID 134208953) is 1-[7-(2-methoxypropan-2-yl)-2-methyl-[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-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is COC(C)(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12.
What is the InChIKey of 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is JOUJROFSDMNFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O2S/c1-10-28-15-14(19(2,3)33-4)13(9-25-17(15)34-10)30-18(32)29-11-7-12(20(21,22)23)16(24-8-11)31-26-5-6-27-31/h5-9H,1-4H3,(H2,29,30,32).
What are the key properties of 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea?
1-[7-(2-methoxypropan-2-yl)-2-methyl-[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 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 134208953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).