2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H19ClN2O3S — CID 66753134

IUPAC2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(/C=C/c2cc(=O)n3cc(Cl)sc3n2)c1OCC(C)C
InChIInChI=1S/C19H19ClN2O3S/c1-12(2)11-25-18-13(5-4-6-15(18)24-3)7-8-14-9-17(23)22-10-16(20)26-19(22)21-14/h4-10,12H,11H2,1-3H3/b8-7+
InChIKeyRPUFWEXNHLKUIJ-BQYQJAHWSA-N
MW390.89 g/mol
LogP4.62
Rot. Bonds6

About 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66753134) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66753134
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(/C=C/c2cc(=O)n3cc(Cl)sc3n2)c1OCC(C)C
InChIInChI=1S/C19H19ClN2O3S/c1-12(2)11-25-18-13(5-4-6-15(18)24-3)7-8-14-9-17(23)22-10-16(20)26-19(22)21-14/h4-10,12H,11H2,1-3H3/b8-7+
InChIKeyRPUFWEXNHLKUIJ-BQYQJAHWSA-N
XLogP4.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753446
4-[2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]benzonitrile
CID 89143469
7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54064599
7-[2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66752771
1-(5-chloro-2-pyridinyl)-2-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]benzimidazole
CID 58477815
7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 67491458
6-[2-[(Z)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]benzimidazol-1-yl]pyridine-3-carbonitrile
CID 46701080
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid
CID 34046386
4-[(Z)-2-(2,3-dimethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 92912284
4-[2-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-4-oxochromen-3-yl]benzonitrile
CID 46204896
7-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 15590886
7-[2-(3-ethoxy-2-methoxyphenyl)ethenyl]-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54353414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66753134) is 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cccc(/C=C/c2cc(=O)n3cc(Cl)sc3n2)c1OCC(C)C.
What is the InChIKey of 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RPUFWEXNHLKUIJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-12(2)11-25-18-13(5-4-6-15(18)24-3)7-8-14-9-17(23)22-10-16(20)26-19(22)21-14/h4-10,12H,11H2,1-3H3/b8-7+.
What are the key properties of 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 390.89 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66753134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).