2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

C19H17F4N7O2S — CID 89120113

IUPAC2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)C(NCC(=O)Nc2nc(-c3ccc(C(F)(F)F)c(F)c3)cs2)=C(N)N2CCN=C12
InChIInChI=1S/C19H17F4N7O2S/c1-29-16(32)14(15(24)30-5-4-25-18(29)30)26-7-13(31)28-17-27-12(8-33-17)9-2-3-10(11(20)6-9)19(21,22)23/h2-3,6,8,26H,4-5,7,24H2,1H3,(H,27,28,31)
InChIKeyNMCZLBVNTSOJPB-UHFFFAOYSA-N
MW483.45 g/mol
LogP1.77
Rot. Bonds5

About 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide

2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 89120113) has the molecular formula C19H17F4N7O2S and a molecular weight of 483.45 g/mol. Its IUPAC name is 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID89120113
Molecular FormulaC19H17F4N7O2S
Molecular Weight483.45 g/mol
Exact Mass483.11
IUPAC Name2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)C(NCC(=O)Nc2nc(-c3ccc(C(F)(F)F)c(F)c3)cs2)=C(N)N2CCN=C12
InChIInChI=1S/C19H17F4N7O2S/c1-29-16(32)14(15(24)30-5-4-25-18(29)30)26-7-13(31)28-17-27-12(8-33-17)9-2-3-10(11(20)6-9)19(21,22)23/h2-3,6,8,26H,4-5,7,24H2,1H3,(H,27,28,31)
InChIKeyNMCZLBVNTSOJPB-UHFFFAOYSA-N
XLogP1.77
TPSA115.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide 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

N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86762207
2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 44520738
2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 44520736
2-(3-cyclopropyl-1,6-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87293373
2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 44520572
[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 45352782
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 118630380
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32938737
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 46947247
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32936666
2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 53390111
tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 154669134

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 89120113) is 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is CN1C(=O)C(NCC(=O)Nc2nc(-c3ccc(C(F)(F)F)c(F)c3)cs2)=C(N)N2CCN=C12.
What is the InChIKey of 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NMCZLBVNTSOJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N7O2S/c1-29-16(32)14(15(24)30-5-4-25-18(29)30)26-7-13(31)28-17-27-12(8-33-17)9-2-3-10(11(20)6-9)19(21,22)23/h2-3,6,8,26H,4-5,7,24H2,1H3,(H,27,28,31).
What are the key properties of 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide?
2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 483.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 89120113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).