cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

C16H10Cl2FN3OS — CID 66807279

IUPACcis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12)[C@@H]1C[C@@H]1F
InChIInChI=1S/C16H10Cl2FN3OS/c17-8-2-1-3-9(18)12(8)16-21-11-4-5-20-14(13(11)24-16)22-15(23)7-6-10(7)19/h1-5,7,10H,6H2,(H,20,22,23)/t7-,10+/m1/s1
InChIKeyDDARMZZFRZZHBO-XCBNKYQSSA-N
MW382.25 g/mol
LogP4.96
Rot. Bonds3

About cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 66807279) has the molecular formula C16H10Cl2FN3OS and a molecular weight of 382.25 g/mol. Its IUPAC name is cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID66807279
Molecular FormulaC16H10Cl2FN3OS
Molecular Weight382.25 g/mol
Exact Mass380.99
IUPAC Namecis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12)[C@@H]1C[C@@H]1F
InChIInChI=1S/C16H10Cl2FN3OS/c17-8-2-1-3-9(18)12(8)16-21-11-4-5-20-14(13(11)24-16)22-15(23)7-6-10(7)19/h1-5,7,10H,6H2,(H,20,22,23)/t7-,10+/m1/s1
InChIKeyDDARMZZFRZZHBO-XCBNKYQSSA-N
XLogP4.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide (CID 66807279) is cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is DDARMZZFRZZHBO-XCBNKYQSSA-N. The full InChI is InChI=1S/C16H10Cl2FN3OS/c17-8-2-1-3-9(18)12(8)16-21-11-4-5-20-14(13(11)24-16)22-15(23)7-6-10(7)19/h1-5,7,10H,6H2,(H,20,22,23)/t7-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 66807279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).