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

C10H8F3N3O3S — CID 134209142

IUPAC[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
SMILESCc1nc2c(C(O)C(F)(F)F)c(NC(=O)O)cnc2s1
InChIInChI=1S/C10H8F3N3O3S/c1-3-15-6-5(7(17)10(11,12)13)4(16-9(18)19)2-14-8(6)20-3/h2,7,16-17H,1H3,(H,18,19)
InChIKeyCRVHBMMXTGPKDD-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.69
Rot. Bonds2

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

[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid (PubChem CID 134209142) has the molecular formula C10H8F3N3O3S and a molecular weight of 307.25 g/mol. Its IUPAC name is [2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
PubChem CID134209142
Molecular FormulaC10H8F3N3O3S
Molecular Weight307.25 g/mol
Exact Mass307.02
IUPAC Name[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
SMILESCc1nc2c(C(O)C(F)(F)F)c(NC(=O)O)cnc2s1
InChIInChI=1S/C10H8F3N3O3S/c1-3-15-6-5(7(17)10(11,12)13)4(16-9(18)19)2-14-8(6)20-3/h2,7,16-17H,1H3,(H,18,19)
InChIKeyCRVHBMMXTGPKDD-UHFFFAOYSA-N
XLogP2.69
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.69
H-Bond Donors ≤ 53
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-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The IUPAC name of [2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid (CID 134209142) is [2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[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-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The canonical SMILES for [2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid is Cc1nc2c(C(O)C(F)(F)F)c(NC(=O)O)cnc2s1.
What is the InChIKey of [2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The InChIKey is CRVHBMMXTGPKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S/c1-3-15-6-5(7(17)10(11,12)13)4(16-9(18)19)2-14-8(6)20-3/h2,7,16-17H,1H3,(H,18,19).
What are the key properties of [2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid has a molecular weight of 307.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 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-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid is sourced from PubChem (CID 134209142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).