(7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C17H19N3O5S — CID 51688740

IUPAC(7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCNc1nc2c(s1)[C@@H](c1cc3c(c(OC)c1OC)OCO3)CC(=O)N2
InChIInChI=1S/C17H19N3O5S/c1-4-18-17-20-16-15(26-17)9(6-11(21)19-16)8-5-10-13(25-7-24-10)14(23-3)12(8)22-2/h5,9H,4,6-7H2,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyNEAGTUNJGPRHGH-SECBINFHSA-N
MW377.42 g/mol
LogP2.79
Rot. Bonds5

About (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

(7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 51688740) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID51688740
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name(7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCNc1nc2c(s1)[C@@H](c1cc3c(c(OC)c1OC)OCO3)CC(=O)N2
InChIInChI=1S/C17H19N3O5S/c1-4-18-17-20-16-15(26-17)9(6-11(21)19-16)8-5-10-13(25-7-24-10)14(23-3)12(8)22-2/h5,9H,4,6-7H2,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyNEAGTUNJGPRHGH-SECBINFHSA-N
XLogP2.79
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42648097
(5S)-2-amino-5-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135968813
(7R)-2-(ethylamino)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435872
2-(methylamino)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51138370
(7R)-7-(2,3-dimethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897516
(7R)-2-(ethylamino)-7-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435903
(7S)-2-(ethylamino)-7-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26435901
(7S)-7-[3-[(2-chlorophenyl)methoxy]phenyl]-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51689157
7-(2-methoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51053120
7-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 169419561
(7R)-7-(3-methoxy-2-phenylmethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52899399
(7R)-2-amino-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587081

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 51688740) is (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is CCNc1nc2c(s1)[C@@H](c1cc3c(c(OC)c1OC)OCO3)CC(=O)N2.
What is the InChIKey of (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is NEAGTUNJGPRHGH-SECBINFHSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-4-18-17-20-16-15(26-17)9(6-11(21)19-16)8-5-10-13(25-7-24-10)14(23-3)12(8)22-2/h5,9H,4,6-7H2,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1.
What are the key properties of (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 377.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2-(ethylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51688740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).