(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

C24H21N5O3S — CID 999057

About (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

(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 (PubChem CID 999057) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 999057
• Molecular Formula: C24H21N5O3S
• Molecular Weight: 459.53 g/mol
• Exact Mass: 459.14
• IUPAC Name: (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
• SMILES: CC1=C(C(=O)Nc2ccccc2)[C@H](c2cnn(C)c2C)n2c(sc(=Cc3ccoc3)c2=O)=N1
• InChI: InChI=1S/C24H21N5O3S/c1-14-20(22(30)27-17-7-5-4-6-8-17)21(18-12-25-28(3)15(18)2)29-23(31)19(33-24(29)26-14)11-16-9-10-32-13-16/h4-13,21H,1-3H3,(H,27,30)/t21-/m0/s1
• InChIKey: LSKITAUYCFMORC-NRFANRHFSA-N
• XLogP: 2.51
• TPSA: 94.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.53
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC1=C(C(=O)Nc2ccccc2)[C@H](c2cnn(C)c2C)n2c(sc(=Cc3ccoc3)c2=O)=N1.

What is the InChIKey of (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?

The InChIKey is LSKITAUYCFMORC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-14-20(22(30)27-17-7-5-4-6-8-17)21(18-12-25-28(3)15(18)2)29-23(31)19(33-24(29)26-14)11-16-9-10-32-13-16/h4-13,21H,1-3H3,(H,27,30)/t21-/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 459.53 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 999057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).