3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide

C19H18F2N6O3S — CID 91427639

IUPAC3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide
SMILESC/N=C(\CC(=O)Nc1nc(-c2ccc(F)cc2F)cs1)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C19H18F2N6O3S/c1-23-12(15-16(22)26(2)19(30)27(3)17(15)29)7-14(28)25-18-24-13(8-31-18)10-5-4-9(20)6-11(10)21/h4-6,8H,7,22H2,1-3H3,(H,24,25,28)/b23-12+
InChIKeyDSMGRFPBNGSKMC-FSJBWODESA-N
MW448.46 g/mol
LogP1.52
Rot. Bonds5

About 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide

3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide (PubChem CID 91427639) has the molecular formula C19H18F2N6O3S and a molecular weight of 448.46 g/mol. Its IUPAC name is 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide.

Molecular Properties

Compound Name3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide
PubChem CID91427639
Molecular FormulaC19H18F2N6O3S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC Name3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide
SMILESC/N=C(\CC(=O)Nc1nc(-c2ccc(F)cc2F)cs1)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C19H18F2N6O3S/c1-23-12(15-16(22)26(2)19(30)27(3)17(15)29)7-14(28)25-18-24-13(8-31-18)10-5-4-9(20)6-11(10)21/h4-6,8H,7,22H2,1-3H3,(H,24,25,28)/b23-12+
InChIKeyDSMGRFPBNGSKMC-FSJBWODESA-N
XLogP1.52
TPSA124.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iminobutanamide
CID 91059083
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 58046585
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 16617646
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2165576
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 46918029

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide?
The IUPAC name of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide (CID 91427639) is 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide.
What is the SMILES notation for 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide?
The canonical SMILES for 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide is C/N=C(\CC(=O)Nc1nc(-c2ccc(F)cc2F)cs1)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide?
The InChIKey is DSMGRFPBNGSKMC-FSJBWODESA-N. The full InChI is InChI=1S/C19H18F2N6O3S/c1-23-12(15-16(22)26(2)19(30)27(3)17(15)29)7-14(28)25-18-24-13(8-31-18)10-5-4-9(20)6-11(10)21/h4-6,8H,7,22H2,1-3H3,(H,24,25,28)/b23-12+.
What are the key properties of 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide?
3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide has a molecular weight of 448.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methyliminopropanamide is sourced from PubChem (CID 91427639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).