ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C16H15ClFN3O3S — CID 90527873

IUPACethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)c1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H15ClFN3O3S/c1-2-24-16(23)20-15-19-11-6-7-21(8-12(11)25-15)14(22)13-9(17)4-3-5-10(13)18/h3-5H,2,6-8H2,1H3,(H,19,20,23)
InChIKeyUIYHWCAHXKHVGC-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.70
Rot. Bonds3

About ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90527873) has the molecular formula C16H15ClFN3O3S and a molecular weight of 383.83 g/mol. Its IUPAC name is ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID90527873
Molecular FormulaC16H15ClFN3O3S
Molecular Weight383.83 g/mol
Exact Mass383.05
IUPAC Nameethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)c1c(F)cccc1Cl)CC2
InChIInChI=1S/C16H15ClFN3O3S/c1-2-24-16(23)20-15-19-11-6-7-21(8-12(11)25-15)14(22)13-9(17)4-3-5-10(13)18/h3-5H,2,6-8H2,1H3,(H,19,20,23)
InChIKeyUIYHWCAHXKHVGC-UHFFFAOYSA-N
XLogP3.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate with MolForge

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Related Compounds

ethyl N-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527862
ethyl N-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527885
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
ethyl N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527844
ethyl N-[5-(2-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527850
ethyl N-[5-(2,6-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528219
ethyl N-[5-(2-ethylsulfanylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788102
ethyl N-[5-(2-methyl-3-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527879
ethyl N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788122
ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528028
ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
ethyl N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527811

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90527873) is ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(C(=O)c1c(F)cccc1Cl)CC2.
What is the InChIKey of ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is UIYHWCAHXKHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3S/c1-2-24-16(23)20-15-19-11-6-7-21(8-12(11)25-15)14(22)13-9(17)4-3-5-10(13)18/h3-5H,2,6-8H2,1H3,(H,19,20,23).
What are the key properties of ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 383.83 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90527873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).