N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C24H26F3N5O3S — CID 58791395

IUPACN-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N(C)CC(N)=O)nc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3S/c1-3-4-5-10-35-20-9-7-16(11-17(20)24(25,26)27)30-23-31-19(14-36-23)15-6-8-18(29-12-15)22(34)32(2)13-21(28)33/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,28,33)(H,30,31)
InChIKeyTWGOJZUEOLGWCN-UHFFFAOYSA-N
MW521.57 g/mol
LogP5.09
Rot. Bonds11

About N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 58791395) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID58791395
Molecular FormulaC24H26F3N5O3S
Molecular Weight521.57 g/mol
Exact Mass521.17
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N(C)CC(N)=O)nc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C24H26F3N5O3S/c1-3-4-5-10-35-20-9-7-16(11-17(20)24(25,26)27)30-23-31-19(14-36-23)15-6-8-18(29-12-15)22(34)32(2)13-21(28)33/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,28,33)(H,30,31)
InChIKeyTWGOJZUEOLGWCN-UHFFFAOYSA-N
XLogP5.09
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide 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 N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 58791395) is N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide is CCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N(C)CC(N)=O)nc3)cs2)cc1C(F)(F)F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is TWGOJZUEOLGWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3S/c1-3-4-5-10-35-20-9-7-16(11-17(20)24(25,26)27)30-23-31-19(14-36-23)15-6-8-18(29-12-15)22(34)32(2)13-21(28)33/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H2,28,33)(H,30,31).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 521.57 g/mol, XLogP of 5.09, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-5-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58791395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).