(6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one

C16H22N2OS — CID 148795102

IUPAC(6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one
SMILESCC[C@]1(C)C2=C(C[C@H](C(C)C)CC2=O)Nc2ncsc21
InChIInChI=1S/C16H22N2OS/c1-5-16(4)13-11(18-15-14(16)20-8-17-15)6-10(9(2)3)7-12(13)19/h8-10,18H,5-7H2,1-4H3/t10-,16+/m0/s1
InChIKeyOMYDYWMEUFAZTH-MGPLVRAMSA-N
MW290.43 g/mol
LogP4.13
Rot. Bonds2

About (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one

(6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one (PubChem CID 148795102) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one.

Molecular Properties

Compound Name(6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one
PubChem CID148795102
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one
SMILESCC[C@]1(C)C2=C(C[C@H](C(C)C)CC2=O)Nc2ncsc21
InChIInChI=1S/C16H22N2OS/c1-5-16(4)13-11(18-15-14(16)20-8-17-15)6-10(9(2)3)7-12(13)19/h8-10,18H,5-7H2,1-4H3/t10-,16+/m0/s1
InChIKeyOMYDYWMEUFAZTH-MGPLVRAMSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one?
The IUPAC name of (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one (CID 148795102) is (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one.
What is the SMILES notation for (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one?
The canonical SMILES for (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one is CC[C@]1(C)C2=C(C[C@H](C(C)C)CC2=O)Nc2ncsc21.
What is the InChIKey of (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one?
The InChIKey is OMYDYWMEUFAZTH-MGPLVRAMSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-16(4)13-11(18-15-14(16)20-8-17-15)6-10(9(2)3)7-12(13)19/h8-10,18H,5-7H2,1-4H3/t10-,16+/m0/s1.
What are the key properties of (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one?
(6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one has a molecular weight of 290.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9R)-9-ethyl-9-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-8-one is sourced from PubChem (CID 148795102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).