[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid

C11H10F3N3O3S — CID 134209578

IUPAC[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
SMILESCOC(c1c(NC(=O)O)cnc2sc(C)nc12)C(F)(F)F
InChIInChI=1S/C11H10F3N3O3S/c1-4-16-7-6(8(20-2)11(12,13)14)5(17-10(18)19)3-15-9(7)21-4/h3,8,17H,1-2H3,(H,18,19)
InChIKeyKXYCCFMWPJFSCM-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.34
Rot. Bonds3

About [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid

[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid (PubChem CID 134209578) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
PubChem CID134209578
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC Name[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
SMILESCOC(c1c(NC(=O)O)cnc2sc(C)nc12)C(F)(F)F
InChIInChI=1S/C11H10F3N3O3S/c1-4-16-7-6(8(20-2)11(12,13)14)5(17-10(18)19)3-15-9(7)21-4/h3,8,17H,1-2H3,(H,18,19)
InChIKeyKXYCCFMWPJFSCM-UHFFFAOYSA-N
XLogP3.34
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The IUPAC name of [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid (CID 134209578) is [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid.
What is the SMILES notation for [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The canonical SMILES for [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid is COC(c1c(NC(=O)O)cnc2sc(C)nc12)C(F)(F)F.
What is the InChIKey of [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The InChIKey is KXYCCFMWPJFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-4-16-7-6(8(20-2)11(12,13)14)5(17-10(18)19)3-15-9(7)21-4/h3,8,17H,1-2H3,(H,18,19).
What are the key properties of [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid has a molecular weight of 321.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid is sourced from PubChem (CID 134209578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).