2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C27H19Cl2N3O3S — CID 5090292

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2c(sc(=Cc3cc(Cl)cc(Cl)c3O)c2=O)=N1
InChIInChI=1S/C27H19Cl2N3O3S/c1-15-22(25(34)31-19-10-6-3-7-11-19)23(16-8-4-2-5-9-16)32-26(35)21(36-27(32)30-15)13-17-12-18(28)14-20(29)24(17)33/h2-14,23,33H,1H3,(H,31,34)
InChIKeyGLGODNVPKDMUGL-UHFFFAOYSA-N
MW536.44 g/mol
LogP4.89
Rot. Bonds4

About 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 5090292) has the molecular formula C27H19Cl2N3O3S and a molecular weight of 536.44 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID5090292
Molecular FormulaC27H19Cl2N3O3S
Molecular Weight536.44 g/mol
Exact Mass535.05
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2c(sc(=Cc3cc(Cl)cc(Cl)c3O)c2=O)=N1
InChIInChI=1S/C27H19Cl2N3O3S/c1-15-22(25(34)31-19-10-6-3-7-11-19)23(16-8-4-2-5-9-16)32-26(35)21(36-27(32)30-15)13-17-12-18(28)14-20(29)24(17)33/h2-14,23,33H,1H3,(H,31,34)
InChIKeyGLGODNVPKDMUGL-UHFFFAOYSA-N
XLogP4.89
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.44
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 129442368
2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4773853
(2E)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6392045
2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5106333
(2E)-2-[(2,3-dichlorophenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 21168868
5-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4084819
(2E,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 35793173
(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42100595
5-(4-chlorophenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-4-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5058040
(2E)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5345512
(2E,5R)-5-(4-chlorophenyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 997483
methyl (5R)-2-[(2,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7005902

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 5090292) is 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)n2c(sc(=Cc3cc(Cl)cc(Cl)c3O)c2=O)=N1.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GLGODNVPKDMUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2N3O3S/c1-15-22(25(34)31-19-10-6-3-7-11-19)23(16-8-4-2-5-9-16)32-26(35)21(36-27(32)30-15)13-17-12-18(28)14-20(29)24(17)33/h2-14,23,33H,1H3,(H,31,34).
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 536.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5090292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).