6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione

C24H24N6O4S — CID 25439868

About 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione (PubChem CID 25439868) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
• PubChem CID: 25439868
• Molecular Formula: C24H24N6O4S
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.16
• IUPAC Name: 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
• SMILES: CCCn1c(N)c(-c2csc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccco3)n2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H24N6O4S/c1-3-10-29-21(25)20(22(31)27-23(29)32)17-13-35-24(26-17)30-18(19-5-4-11-34-19)12-16(28-30)14-6-8-15(33-2)9-7-14/h4-9,11,13,18H,3,10,12,25H2,1-2H3,(H,27,31,32)/t18-/m0/s1
• InChIKey: MASOJGMCRHSIDQ-SFHVURJKSA-N
• XLogP: 3.61
• TPSA: 131.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?

The IUPAC name of 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione (CID 25439868) is 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?

The canonical SMILES for 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2csc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccco3)n2)c(=O)[nH]c1=O.

What is the InChIKey of 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?

The InChIKey is MASOJGMCRHSIDQ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N6O4S/c1-3-10-29-21(25)20(22(31)27-23(29)32)17-13-35-24(26-17)30-18(19-5-4-11-34-19)12-16(28-30)14-6-8-15(33-2)9-7-14/h4-9,11,13,18H,3,10,12,25H2,1-2H3,(H,27,31,32)/t18-/m0/s1.

What are the key properties of 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?

6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione has a molecular weight of 492.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 25439868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).