(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one

C13H15N3OS2 — CID 136820684

IUPAC(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1nsc2c1[C@H](c1nc(C(C)C)cs1)CC(=O)N2
InChIInChI=1S/C13H15N3OS2/c1-6(2)9-5-18-12(14-9)8-4-10(17)15-13-11(8)7(3)16-19-13/h5-6,8H,4H2,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyQJZOEJASXRMIGC-MRVPVSSYSA-N
MW293.42 g/mol
LogP3.51
Rot. Bonds2

About (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one

(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (PubChem CID 136820684) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
PubChem CID136820684
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
SMILESCc1nsc2c1[C@H](c1nc(C(C)C)cs1)CC(=O)N2
InChIInChI=1S/C13H15N3OS2/c1-6(2)9-5-18-12(14-9)8-4-10(17)15-13-11(8)7(3)16-19-13/h5-6,8H,4H2,1-3H3,(H,15,17)/t8-/m1/s1
InChIKeyQJZOEJASXRMIGC-MRVPVSSYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

7-hydroxy-6-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170507807
4-(3-chloro-2-fluorophenyl)-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 135988405
(4R)-3-methyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136907573
(4S)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820809
2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965814
4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 137266385
2-(5,6-dimethyl-1,4-dithian-2-yl)-4-propan-2-yl-1,3-thiazole
CID 103347048
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperidine-2,6-dione
CID 104772126
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
4-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thiomorpholine
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1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one (CID 136820684) is (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is Cc1nsc2c1[C@H](c1nc(C(C)C)cs1)CC(=O)N2.
What is the InChIKey of (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
The InChIKey is QJZOEJASXRMIGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-6(2)9-5-18-12(14-9)8-4-10(17)15-13-11(8)7(3)16-19-13/h5-6,8H,4H2,1-3H3,(H,15,17)/t8-/m1/s1.
What are the key properties of (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one?
(4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one has a molecular weight of 293.42 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136820684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).