2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

C23H24ClFN4O3S — CID 42814219

IUPAC2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCC(=O)Nc1ccc(F)cc1)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C23H24ClFN4O3S/c1-15-3-4-16(24)13-19(15)27-23-28-20(14-33-23)22(31)29(11-12-32-2)10-9-21(30)26-18-7-5-17(25)6-8-18/h3-8,13-14H,9-12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyJUZNLRISNXMPIW-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.11
Rot. Bonds10

About 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 42814219) has the molecular formula C23H24ClFN4O3S and a molecular weight of 490.99 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID42814219
Molecular FormulaC23H24ClFN4O3S
Molecular Weight490.99 g/mol
Exact Mass490.12
IUPAC Name2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCC(=O)Nc1ccc(F)cc1)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C23H24ClFN4O3S/c1-15-3-4-16(24)13-19(15)27-23-28-20(14-33-23)22(31)29(11-12-32-2)10-9-21(30)26-18-7-5-17(25)6-8-18/h3-8,13-14H,9-12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyJUZNLRISNXMPIW-UHFFFAOYSA-N
XLogP5.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137274
2-(4-fluoroanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46136247
2-(5-chloro-2-methylanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46137280
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 83281447
2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42814356
3-[[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]propanoic acid
CID 42813689
N-benzyl-2-(2,5-dichloroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813545
2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16915037
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941377
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 42813320
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-(2-chloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 93305207
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42814212

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 42814219) is 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is COCCN(CCC(=O)Nc1ccc(F)cc1)C(=O)c1csc(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JUZNLRISNXMPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3S/c1-15-3-4-16(24)13-19(15)27-23-28-20(14-33-23)22(31)29(11-12-32-2)10-9-21(30)26-18-7-5-17(25)6-8-18/h3-8,13-14H,9-12H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 490.99 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42814219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).