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

C17H13ClFN3O2S — CID 66801255

IUPACcyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
SMILESO=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)OCC1CC1
InChIInChI=1S/C17H13ClFN3O2S/c18-10-2-1-3-11(19)13(10)16-21-12-6-7-20-15(14(12)25-16)22-17(23)24-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H,20,22,23)
InChIKeyRISZXCZULMUWSQ-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.11
Rot. Bonds4

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

cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate (PubChem CID 66801255) has the molecular formula C17H13ClFN3O2S and a molecular weight of 377.83 g/mol. Its IUPAC name is cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
PubChem CID66801255
Molecular FormulaC17H13ClFN3O2S
Molecular Weight377.83 g/mol
Exact Mass377.04
IUPAC Namecyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate
SMILESO=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)OCC1CC1
InChIInChI=1S/C17H13ClFN3O2S/c18-10-2-1-3-11(19)13(10)16-21-12-6-7-20-15(14(12)25-16)22-17(23)24-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H,20,22,23)
InChIKeyRISZXCZULMUWSQ-UHFFFAOYSA-N
XLogP5.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The IUPAC name of cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate (CID 66801255) is cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate.
What is the SMILES notation for cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The canonical SMILES for cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate is O=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)OCC1CC1.
What is the InChIKey of cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
The InChIKey is RISZXCZULMUWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S/c18-10-2-1-3-11(19)13(10)16-21-12-6-7-20-15(14(12)25-16)22-17(23)24-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H,20,22,23).
What are the key properties of cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate?
cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate has a molecular weight of 377.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]carbamate is sourced from PubChem (CID 66801255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).