4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

C24H20F3N5O3S — CID 53345425

IUPAC4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(NCCO)ncnc12
InChIInChI=1S/C24H20F3N5O3S/c1-13-5-6-14(22(34)31-16-4-2-3-15(10-16)24(25,26)27)9-18(13)32-23(35)17-11-36-20-19(17)29-12-30-21(20)28-7-8-33/h2-6,9-12,33H,7-8H2,1H3,(H,31,34)(H,32,35)(H,28,29,30)
InChIKeySUOYJMXLKGXXJW-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.93
Rot. Bonds7

About 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53345425) has the molecular formula C24H20F3N5O3S and a molecular weight of 515.52 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53345425
Molecular FormulaC24H20F3N5O3S
Molecular Weight515.52 g/mol
Exact Mass515.12
IUPAC Name4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(NCCO)ncnc12
InChIInChI=1S/C24H20F3N5O3S/c1-13-5-6-14(22(34)31-16-4-2-3-15(10-16)24(25,26)27)9-18(13)32-23(35)17-11-36-20-19(17)29-12-30-21(20)28-7-8-33/h2-6,9-12,33H,7-8H2,1H3,(H,31,34)(H,32,35)(H,28,29,30)
InChIKeySUOYJMXLKGXXJW-UHFFFAOYSA-N
XLogP4.93
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide 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

4-anilino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53346071
4-(cyclopropylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53345848
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 130182536
4-[4-(4-ethylpiperazin-1-yl)anilino]-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53345320
4-(cyclopropylamino)-N-[5-[[3-(ethylamino)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53346387
4-(cyclopropylamino)-N-[5-[[3-[3-(dimethylamino)propylamino]-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 53345849
[4-[[3-[[4-(cyclopropylamino)thieno[3,2-d]pyrimidine-7-carbonyl]amino]-4-methylbenzoyl]amino]-2-(trifluoromethyl)phenyl]methyl methanesulfonate
CID 53345537
4-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155137949
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24783650
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
4-(methylamino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methylamino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 67377493

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 53345425) is 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc2c(NCCO)ncnc12.
What is the InChIKey of 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is SUOYJMXLKGXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3S/c1-13-5-6-14(22(34)31-16-4-2-3-15(10-16)24(25,26)27)9-18(13)32-23(35)17-11-36-20-19(17)29-12-30-21(20)28-7-8-33/h2-6,9-12,33H,7-8H2,1H3,(H,31,34)(H,32,35)(H,28,29,30).
What are the key properties of 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 515.52 g/mol, XLogP of 4.93, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53345425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).