N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide

C19H17F2N3OS — CID 50845488

IUPACN-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)c(F)c2)s1
InChIInChI=1S/C19H17F2N3OS/c1-3-12-6-4-5-7-16(12)24-19-22-11(2)17(26-19)18(25)23-13-8-9-14(20)15(21)10-13/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDSUSYPDLVIOXHN-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.29
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 50845488) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID50845488
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)c(F)c2)s1
InChIInChI=1S/C19H17F2N3OS/c1-3-12-6-4-5-7-16(12)24-19-22-11(2)17(26-19)18(25)23-13-8-9-14(20)15(21)10-13/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDSUSYPDLVIOXHN-UHFFFAOYSA-N
XLogP5.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-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

2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
N-(3,4-difluorophenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152907
2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152832
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 50845488) is N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)c(F)c2)s1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DSUSYPDLVIOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c1-3-12-6-4-5-7-16(12)24-19-22-11(2)17(26-19)18(25)23-13-8-9-14(20)15(21)10-13/h4-10H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50845488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).