N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine

C20H14ClN3O2S — CID 175734090

IUPACN-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine
SMILESClc1c(Nc2nsc3cccnc23)cccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H14ClN3O2S/c21-18-13(12-6-7-15-16(11-12)26-10-9-25-15)3-1-4-14(18)23-20-19-17(27-24-20)5-2-8-22-19/h1-8,11H,9-10H2,(H,23,24)
InChIKeyWXMDHTSTLQIDKY-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.53
Rot. Bonds3

About N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine

N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine (PubChem CID 175734090) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine
PubChem CID175734090
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC NameN-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine
SMILESClc1c(Nc2nsc3cccnc23)cccc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H14ClN3O2S/c21-18-13(12-6-7-15-16(11-12)26-10-9-25-15)3-1-4-14(18)23-20-19-17(27-24-20)5-2-8-22-19/h1-8,11H,9-10H2,(H,23,24)
InChIKeyWXMDHTSTLQIDKY-UHFFFAOYSA-N
XLogP5.53
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-[1,2]thiazolo[4,5-b]pyridin-6-yl]amino]-3-hydroxybutanoic acid
CID 175734073
2-[[3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-[1,2]thiazolo[4,5-b]pyridin-6-yl]amino]-3-hydroxy-2-methylpropanoic acid
CID 175734095
2-[[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]ethanol
CID 146339389
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]-1,2-benzothiazol-3-amine
CID 175735497
2-[[3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-1,2-benzothiazol-6-yl]methylideneamino]propanoic acid
CID 175244406
(2S)-2-[[3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-1,2-benzothiazol-6-yl]methylamino]-3-methylbutanoic acid
CID 164621229
5-[1-amino-2-[3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-[1,2]thiazolo[4,5-b]pyrazin-5-yl]ethenyl]pyrrolidin-2-one
CID 175232226
3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-1-methylpyrazolo[4,3-b]pyridine-6-carbaldehyde
CID 164519725
[3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]phenyl]-(1,2-thiazol-3-yl)methanone
CID 175766469
[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]phenyl]methanol
CID 164615298
3-[[3-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-1-methylpyrazolo[4,3-b]pyridin-6-yl]methylideneamino]propane-1,2-diol
CID 175259737
2-[[3-(2-chloro-3-phenylanilino)-[1,2]thiazolo[4,5-b]pyridin-6-yl]amino]-3-hydroxybutanoic acid
CID 175734067

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine (CID 175734090) is N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine is Clc1c(Nc2nsc3cccnc23)cccc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine?
The InChIKey is WXMDHTSTLQIDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c21-18-13(12-6-7-15-16(11-12)26-10-9-25-15)3-1-4-14(18)23-20-19-17(27-24-20)5-2-8-22-19/h1-8,11H,9-10H2,(H,23,24).
What are the key properties of N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine?
N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine has a molecular weight of 395.87 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[1,2]thiazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 175734090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).