(2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C13H13ClN2OS — CID 51860475

IUPAC(2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1[C@H](Cc2ccc(Cl)cc2)SC2=NCCCN12
InChIInChI=1S/C13H13ClN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2/t11-/m0/s1
InChIKeyJEVGKNSQKONWQM-NSHDSACASA-N
MW280.78 g/mol
LogP2.59
Rot. Bonds2

About (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

(2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 51860475) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID51860475
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name(2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1[C@H](Cc2ccc(Cl)cc2)SC2=NCCCN12
InChIInChI=1S/C13H13ClN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2/t11-/m0/s1
InChIKeyJEVGKNSQKONWQM-NSHDSACASA-N
XLogP2.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 51860472
N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264948
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 53264892
N-[4-(diethylamino)phenyl]-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264964
N-(2-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264873
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53264943
(5R)-5-benzyl-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126150111
methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 53264928
N-[(4-methylphenyl)methyl]-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 53264833
N-(4-fluorophenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 28976953
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
CID 15563871
N-(4-methoxyphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2951375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 51860475) is (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=C1[C@H](Cc2ccc(Cl)cc2)SC2=NCCCN12.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is JEVGKNSQKONWQM-NSHDSACASA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
(2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 280.78 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 51860475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).