(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate

C16H12Cl2N2O4S — CID 51479678

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H12Cl2N2O4S/c1-9(24-13-3-2-10(17)6-12(13)18)15(22)23-8-11-7-14(21)20-4-5-25-16(20)19-11/h2-7,9H,8H2,1H3/t9-/m1/s1
InChIKeyWACLZLIUWMIKPI-SECBINFHSA-N
MW399.26 g/mol
LogP3.57
Rot. Bonds5

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 51479678) has the molecular formula C16H12Cl2N2O4S and a molecular weight of 399.26 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID51479678
Molecular FormulaC16H12Cl2N2O4S
Molecular Weight399.26 g/mol
Exact Mass397.99
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H12Cl2N2O4S/c1-9(24-13-3-2-10(17)6-12(13)18)15(22)23-8-11-7-14(21)20-4-5-25-16(20)19-11/h2-7,9H,8H2,1H3/t9-/m1/s1
InChIKeyWACLZLIUWMIKPI-SECBINFHSA-N
XLogP3.57
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 51580748
7-[[5-[1-(2,4-dichlorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 19640047
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 4009223
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 9491906
7-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17382749
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylsulfanylbenzoate
CID 2641473
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 16508114
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 3374878
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethylbenzoate
CID 2659498
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-ethylsulfanylbenzoate
CID 8658536
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8892732
7-[(2-amino-4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43251011

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 51479678) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is WACLZLIUWMIKPI-SECBINFHSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4S/c1-9(24-13-3-2-10(17)6-12(13)18)15(22)23-8-11-7-14(21)20-4-5-25-16(20)19-11/h2-7,9H,8H2,1H3/t9-/m1/s1.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 399.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 51479678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).