(2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one

C13H14N2OS — CID 40625167

IUPAC(2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
SMILESCC[C@H]1SC2=Nc3ccccc3[C@@H](C)N2C1=O
InChIInChI=1S/C13H14N2OS/c1-3-11-12(16)15-8(2)9-6-4-5-7-10(9)14-13(15)17-11/h4-8,11H,3H2,1-2H3/t8-,11-/m1/s1
InChIKeyHBPRZMPVZNSRJD-LDYMZIIASA-N
MW246.33 g/mol
LogP3.10
Rot. Bonds1

About (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one

(2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one (PubChem CID 40625167) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one.

Molecular Properties

Compound Name(2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
PubChem CID40625167
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name(2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
SMILESCC[C@H]1SC2=Nc3ccccc3[C@@H](C)N2C1=O
InChIInChI=1S/C13H14N2OS/c1-3-11-12(16)15-8(2)9-6-4-5-7-10(9)14-13(15)17-11/h4-8,11H,3H2,1-2H3/t8-,11-/m1/s1
InChIKeyHBPRZMPVZNSRJD-LDYMZIIASA-N
XLogP3.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

methyl (2R,5R)-5-(2-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2053362
10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one
CID 86098529
2-methoxyethyl 5-(2-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3325717
methyl 2-ethyl-7-methyl-5-(2-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3729686
propan-2-yl 2-ethyl-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3319524
benzyl 2-ethyl-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3325866
methyl (2R,5S)-2-ethyl-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1281535
ethyl (2R,5S)-2-ethyl-5-(3-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2143184
benzyl (2R,5S)-5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 34116299
methyl (2S,5R)-2-ethyl-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7014667
methyl 5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4984208
ethyl (2R,5R)-5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2056520

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
The IUPAC name of (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one (CID 40625167) is (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one.
What is the SMILES notation for (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
The canonical SMILES for (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one is CC[C@H]1SC2=Nc3ccccc3[C@@H](C)N2C1=O.
What is the InChIKey of (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
The InChIKey is HBPRZMPVZNSRJD-LDYMZIIASA-N. The full InChI is InChI=1S/C13H14N2OS/c1-3-11-12(16)15-8(2)9-6-4-5-7-10(9)14-13(15)17-11/h4-8,11H,3H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one?
(2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one has a molecular weight of 246.33 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-ethyl-5-methyl-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one is sourced from PubChem (CID 40625167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).