2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C19H16ClN3O2S — CID 16765224

IUPAC2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1ccccc1OCc1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C19H16ClN3O2S/c20-14-7-3-1-5-11(14)10-25-15-8-4-2-6-12(15)13-9-16(24)22-18-17(13)26-19(21)23-18/h1-8,13H,9-10H2,(H2,21,23)(H,22,24)
InChIKeyKLVZKZCNOXSQBV-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.43
Rot. Bonds4

About 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 16765224) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID16765224
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)C(c1ccccc1OCc1ccccc1Cl)CC(=O)N2
InChIInChI=1S/C19H16ClN3O2S/c20-14-7-3-1-5-11(14)10-25-15-8-4-2-6-12(15)13-9-16(24)22-18-17(13)26-19(21)23-18/h1-8,13H,9-10H2,(H2,21,23)(H,22,24)
InChIKeyKLVZKZCNOXSQBV-UHFFFAOYSA-N
XLogP4.43
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 16765224) is 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)C(c1ccccc1OCc1ccccc1Cl)CC(=O)N2.
What is the InChIKey of 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is KLVZKZCNOXSQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-14-7-3-1-5-11(14)10-25-15-8-4-2-6-12(15)13-9-16(24)22-18-17(13)26-19(21)23-18/h1-8,13H,9-10H2,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 385.88 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 16765224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).