N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide

C22H21F3N4O3S — CID 42813263

IUPACN-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(CCN(C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)C1CC1)NCc1ccco1
InChIInChI=1S/C22H21F3N4O3S/c23-22(24,25)14-3-1-4-15(11-14)27-21-28-18(13-33-21)20(31)29(16-6-7-16)9-8-19(30)26-12-17-5-2-10-32-17/h1-5,10-11,13,16H,6-9,12H2,(H,26,30)(H,27,28)
InChIKeyCTLJXLSABVUMIR-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.81
Rot. Bonds9

About N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide (PubChem CID 42813263) has the molecular formula C22H21F3N4O3S and a molecular weight of 478.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
PubChem CID42813263
Molecular FormulaC22H21F3N4O3S
Molecular Weight478.50 g/mol
Exact Mass478.13
IUPAC NameN-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(CCN(C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)C1CC1)NCc1ccco1
InChIInChI=1S/C22H21F3N4O3S/c23-22(24,25)14-3-1-4-15(11-14)27-21-28-18(13-33-21)20(31)29(16-6-7-16)9-8-19(30)26-12-17-5-2-10-32-17/h1-5,10-11,13,16H,6-9,12H2,(H,26,30)(H,27,28)
InChIKeyCTLJXLSABVUMIR-UHFFFAOYSA-N
XLogP4.81
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813573
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813628
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 46136331
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
CID 42795963
2-anilino-N-benzyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 46136473
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783081
N-benzyl-N-[3-(2-methylpropylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813259
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 93305053
N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813478
N-[[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978592
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46136486

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide (CID 42813263) is N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide is O=C(CCN(C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1)C1CC1)NCc1ccco1.
What is the InChIKey of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
The InChIKey is CTLJXLSABVUMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S/c23-22(24,25)14-3-1-4-15(11-14)27-21-28-18(13-33-21)20(31)29(16-6-7-16)9-8-19(30)26-12-17-5-2-10-32-17/h1-5,10-11,13,16H,6-9,12H2,(H,26,30)(H,27,28).
What are the key properties of N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).