N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C20H17F3N4OS — CID 141440807

IUPACN-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1-c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H17F3N4OS/c1-11-17(29-19(25-11)27-18(28)12-5-6-12)13-7-8-24-16(9-13)26-15-4-2-3-14(10-15)20(21,22)23/h2-4,7-10,12H,5-6H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyHVHYOENSLZEUAV-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.62
Rot. Bonds5

About N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 141440807) has the molecular formula C20H17F3N4OS and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID141440807
Molecular FormulaC20H17F3N4OS
Molecular Weight418.44 g/mol
Exact Mass418.11
IUPAC NameN-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1-c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H17F3N4OS/c1-11-17(29-19(25-11)27-18(28)12-5-6-12)13-7-8-24-16(9-13)26-15-4-2-3-14(10-15)20(21,22)23/h2-4,7-10,12H,5-6H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyHVHYOENSLZEUAV-UHFFFAOYSA-N
XLogP5.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]amino]-N-cyclopropylbenzamide
CID 141440778
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43836598
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501440
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
N-[4-methyl-5-[4-methyl-3-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 159263287

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 141440807) is N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is Cc1nc(NC(=O)C2CC2)sc1-c1ccnc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is HVHYOENSLZEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4OS/c1-11-17(29-19(25-11)27-18(28)12-5-6-12)13-7-8-24-16(9-13)26-15-4-2-3-14(10-15)20(21,22)23/h2-4,7-10,12H,5-6H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 418.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 141440807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).