(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C18H21N3O3S — CID 42556464

IUPAC(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC1CCCC1
InChIInChI=1S/C18H21N3O3S/c1-23-13-8-4-7-11(15(13)24-10-5-2-3-6-10)12-9-14(22)20-17-16(12)25-18(19)21-17/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H2,19,21)(H,20,22)/t12-/m1/s1
InChIKeyRXGDDEKAYHPZHI-GFCCVEGCSA-N
MW359.45 g/mol
LogP3.53
Rot. Bonds4

About (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42556464) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42556464
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC1CCCC1
InChIInChI=1S/C18H21N3O3S/c1-23-13-8-4-7-11(15(13)24-10-5-2-3-6-10)12-9-14(22)20-17-16(12)25-18(19)21-17/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H2,19,21)(H,20,22)/t12-/m1/s1
InChIKeyRXGDDEKAYHPZHI-GFCCVEGCSA-N
XLogP3.53
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556463
(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556453
(7R)-2-amino-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51721654
(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556465
(7R)-2-amino-7-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556477
(7R)-2-amino-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587081
(7R)-7-(2,3-dimethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52897516
(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061613
(7R)-2-amino-7-(2,3-dichlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336852
(7S)-2-amino-7-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 26342138
2-amino-7-(2-bromophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654278
(7S)-2-amino-7-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39336811

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42556464) is (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC1CCCC1.
What is the InChIKey of (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is RXGDDEKAYHPZHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-23-13-8-4-7-11(15(13)24-10-5-2-3-6-10)12-9-14(22)20-17-16(12)25-18(19)21-17/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H2,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 359.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42556464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).