methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate

C14H8Cl2FN3O2S — CID 66801353

IUPACmethyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
SMILESCOC(=O)Nc1ncc(F)c2nc(-c3c(Cl)cccc3Cl)sc12
InChIInChI=1S/C14H8Cl2FN3O2S/c1-22-14(21)20-12-11-10(8(17)5-18-12)19-13(23-11)9-6(15)3-2-4-7(9)16/h2-5H,1H3,(H,18,20,21)
InChIKeyFTXCRGHJWVFAQT-UHFFFAOYSA-N
MW372.21 g/mol
LogP4.98
Rot. Bonds2

About methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate

methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate (PubChem CID 66801353) has the molecular formula C14H8Cl2FN3O2S and a molecular weight of 372.21 g/mol. Its IUPAC name is methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
PubChem CID66801353
Molecular FormulaC14H8Cl2FN3O2S
Molecular Weight372.21 g/mol
Exact Mass370.97
IUPAC Namemethyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
SMILESCOC(=O)Nc1ncc(F)c2nc(-c3c(Cl)cccc3Cl)sc12
InChIInChI=1S/C14H8Cl2FN3O2S/c1-22-14(21)20-12-11-10(8(17)5-18-12)19-13(23-11)9-6(15)3-2-4-7(9)16/h2-5H,1H3,(H,18,20,21)
InChIKeyFTXCRGHJWVFAQT-UHFFFAOYSA-N
XLogP4.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The IUPAC name of methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate (CID 66801353) is methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The canonical SMILES for methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate is COC(=O)Nc1ncc(F)c2nc(-c3c(Cl)cccc3Cl)sc12.
What is the InChIKey of methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The InChIKey is FTXCRGHJWVFAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O2S/c1-22-14(21)20-12-11-10(8(17)5-18-12)19-13(23-11)9-6(15)3-2-4-7(9)16/h2-5H,1H3,(H,18,20,21).
What are the key properties of methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate has a molecular weight of 372.21 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,6-dichlorophenyl)-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate is sourced from PubChem (CID 66801353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).