6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C21H20F2N4O3S — CID 2123205

IUPAC6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3cc(F)ccc3F)s2)c(=O)n(C)c1=O
InChIInChI=1S/C21H20F2N4O3S/c1-26-18(24)14(20(29)27(2)21(26)30)19-25-15(10-5-3-4-6-10)17(31-19)16(28)12-9-11(22)7-8-13(12)23/h7-10H,3-6,24H2,1-2H3
InChIKeyVHZSGKZAKFLRSQ-UHFFFAOYSA-N
MW446.48 g/mol
LogP2.96
Rot. Bonds4

About 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2123205) has the molecular formula C21H20F2N4O3S and a molecular weight of 446.48 g/mol. Its IUPAC name is 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2123205
Molecular FormulaC21H20F2N4O3S
Molecular Weight446.48 g/mol
Exact Mass446.12
IUPAC Name6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3cc(F)ccc3F)s2)c(=O)n(C)c1=O
InChIInChI=1S/C21H20F2N4O3S/c1-26-18(24)14(20(29)27(2)21(26)30)19-25-15(10-5-3-4-6-10)17(31-19)16(28)12-9-11(22)7-8-13(12)23/h7-10H,3-6,24H2,1-2H3
InChIKeyVHZSGKZAKFLRSQ-UHFFFAOYSA-N
XLogP2.96
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 2123205) is 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3cc(F)ccc3F)s2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VHZSGKZAKFLRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S/c1-26-18(24)14(20(29)27(2)21(26)30)19-25-15(10-5-3-4-6-10)17(31-19)16(28)12-9-11(22)7-8-13(12)23/h7-10H,3-6,24H2,1-2H3.
What are the key properties of 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 446.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[4-cyclopentyl-5-(2,5-difluorobenzoyl)-1,3-thiazol-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2123205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).