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

C19H16ClN3O2S — CID 42558816

IUPAC(7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@H](c1ccc(OCc3ccccc3Cl)cc1)CC(=O)N2
InChIInChI=1S/C19H16ClN3O2S/c20-15-4-2-1-3-12(15)10-25-13-7-5-11(6-8-13)14-9-16(24)22-18-17(14)26-19(21)23-18/h1-8,14H,9-10H2,(H2,21,23)(H,22,24)/t14-/m0/s1
InChIKeyIDRBSXWPGWGUMY-AWEZNQCLSA-N
MW385.88 g/mol
LogP4.43
Rot. Bonds4

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

(7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42558816) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42558816
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name(7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESNc1nc2c(s1)[C@H](c1ccc(OCc3ccccc3Cl)cc1)CC(=O)N2
InChIInChI=1S/C19H16ClN3O2S/c20-15-4-2-1-3-12(15)10-25-13-7-5-11(6-8-13)14-9-16(24)22-18-17(14)26-19(21)23-18/h1-8,14H,9-10H2,(H2,21,23)(H,22,24)/t14-/m0/s1
InChIKeyIDRBSXWPGWGUMY-AWEZNQCLSA-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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Related Compounds

(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26342138
(7S)-2-amino-7-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336811
(7S)-2-amino-7-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591026
(7S)-2-amino-7-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587835
(7S)-7-[3-[(2-chlorophenyl)methoxy]phenyl]-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51689157
(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336852
(7R)-2-amino-7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42591025
(7S)-2-amino-7-(2-chloro-6-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42590691
(7S)-2-amino-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39334445
2-amino-7-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654149
(7R)-2-amino-7-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39340520
2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654278

Frequently Asked Questions

What is the IUPAC name of (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42558816) is (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is Nc1nc2c(s1)[C@H](c1ccc(OCc3ccccc3Cl)cc1)CC(=O)N2.
What is the InChIKey of (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is IDRBSXWPGWGUMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-15-4-2-1-3-12(15)10-25-13-7-5-11(6-8-13)14-9-16(24)22-18-17(14)26-19(21)23-18/h1-8,14H,9-10H2,(H2,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7S)-2-amino-7-[4-[(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 (7S)-2-amino-7-[4-[(2-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42558816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).