2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C26H23N5O2S — CID 4765689

IUPAC2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cnn(C)c2C)n2c(sc(=Cc3ccccc3)c2=O)=N1
InChIInChI=1S/C26H23N5O2S/c1-16-22(24(32)29-19-12-8-5-9-13-19)23(20-15-27-30(3)17(20)2)31-25(33)21(34-26(31)28-16)14-18-10-6-4-7-11-18/h4-15,23H,1-3H3,(H,29,32)
InChIKeyGQVOGQRAQOPOTF-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.92
Rot. Bonds4

About 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4765689) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4765689
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cnn(C)c2C)n2c(sc(=Cc3ccccc3)c2=O)=N1
InChIInChI=1S/C26H23N5O2S/c1-16-22(24(32)29-19-12-8-5-9-13-19)23(20-15-27-30(3)17(20)2)31-25(33)21(34-26(31)28-16)14-18-10-6-4-7-11-18/h4-15,23H,1-3H3,(H,29,32)
InChIKeyGQVOGQRAQOPOTF-UHFFFAOYSA-N
XLogP2.92
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-5-(1,5-dimethylpyrazol-4-yl)-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 999057
(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
(5R)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 1226170
(5R)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 996406
(2E)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5345512
(5S)-5-(2-chlorophenyl)-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 999144
(2E,5S)-5-(4-bromophenyl)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98166454
(2Z)-2-[(4-bromophenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 21208759
2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3303221
2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4773790
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

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4765689) is 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cnn(C)c2C)n2c(sc(=Cc3ccccc3)c2=O)=N1.
What is the InChIKey of 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GQVOGQRAQOPOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-16-22(24(32)29-19-12-8-5-9-13-19)23(20-15-27-30(3)17(20)2)31-25(33)21(34-26(31)28-16)14-18-10-6-4-7-11-18/h4-15,23H,1-3H3,(H,29,32).
What are the key properties of 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-5-(1,5-dimethylpyrazol-4-yl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4765689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).