6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C22H25FN4O3S — CID 2100921

IUPAC6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(-c2nc(C(C)C)c(C(=O)c3ccccc3F)s2)c(=O)n(C)c1=O
InChIInChI=1S/C22H25FN4O3S/c1-11(2)10-27-19(24)15(21(29)26(5)22(27)30)20-25-16(12(3)4)18(31-20)17(28)13-8-6-7-9-14(13)23/h6-9,11-12H,10,24H2,1-5H3
InChIKeyFJXPYEDWHISJSA-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.40
Rot. Bonds6

About 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 2100921) has the molecular formula C22H25FN4O3S and a molecular weight of 444.53 g/mol. Its IUPAC name is 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID2100921
Molecular FormulaC22H25FN4O3S
Molecular Weight444.53 g/mol
Exact Mass444.16
IUPAC Name6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(-c2nc(C(C)C)c(C(=O)c3ccccc3F)s2)c(=O)n(C)c1=O
InChIInChI=1S/C22H25FN4O3S/c1-11(2)10-27-19(24)15(21(29)26(5)22(27)30)20-25-16(12(3)4)18(31-20)17(28)13-8-6-7-9-14(13)23/h6-9,11-12H,10,24H2,1-5H3
InChIKeyFJXPYEDWHISJSA-UHFFFAOYSA-N
XLogP3.40
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 2100921) is 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(-c2nc(C(C)C)c(C(=O)c3ccccc3F)s2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is FJXPYEDWHISJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S/c1-11(2)10-27-19(24)15(21(29)26(5)22(27)30)20-25-16(12(3)4)18(31-20)17(28)13-8-6-7-9-14(13)23/h6-9,11-12H,10,24H2,1-5H3.
What are the key properties of 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 444.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[5-(2-fluorobenzoyl)-4-propan-2-yl-1,3-thiazol-2-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2100921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).