methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate

C14H9ClFN3O2S — CID 66801447

IUPACmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
SMILESCOC(=O)Nc1nccc2nc(-c3c(F)cccc3Cl)sc12
InChIInChI=1S/C14H9ClFN3O2S/c1-21-14(20)19-12-11-9(5-6-17-12)18-13(22-11)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H,17,19,20)
InChIKeyZDCWQQPYVIEBOE-UHFFFAOYSA-N
MW337.76 g/mol
LogP4.33
Rot. Bonds2

About methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate

methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate (PubChem CID 66801447) has the molecular formula C14H9ClFN3O2S and a molecular weight of 337.76 g/mol. Its IUPAC name is methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
PubChem CID66801447
Molecular FormulaC14H9ClFN3O2S
Molecular Weight337.76 g/mol
Exact Mass337.01
IUPAC Namemethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
SMILESCOC(=O)Nc1nccc2nc(-c3c(F)cccc3Cl)sc12
InChIInChI=1S/C14H9ClFN3O2S/c1-21-14(20)19-12-11-9(5-6-17-12)18-13(22-11)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H,17,19,20)
InChIKeyZDCWQQPYVIEBOE-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The IUPAC name of methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate (CID 66801447) is methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The canonical SMILES for methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate is COC(=O)Nc1nccc2nc(-c3c(F)cccc3Cl)sc12.
What is the InChIKey of methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The InChIKey is ZDCWQQPYVIEBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2S/c1-21-14(20)19-12-11-9(5-6-17-12)18-13(22-11)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H,17,19,20).
What are the key properties of methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate has a molecular weight of 337.76 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate is sourced from PubChem (CID 66801447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).