1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

C18H19F3N4O3S — CID 27377818

IUPAC1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C18H19F3N4O3S/c19-18(20,21)28-14-3-1-12(2-4-14)23-17-24-13(10-29-17)9-15(26)25-7-5-11(6-8-25)16(22)27/h1-4,10-11H,5-9H2,(H2,22,27)(H,23,24)
InChIKeyDESGHEFIMOFRJF-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.05
Rot. Bonds6

About 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 27377818) has the molecular formula C18H19F3N4O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
PubChem CID27377818
Molecular FormulaC18H19F3N4O3S
Molecular Weight428.44 g/mol
Exact Mass428.11
IUPAC Name1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C18H19F3N4O3S/c19-18(20,21)28-14-3-1-12(2-4-14)23-17-24-13(10-29-17)9-15(26)25-7-5-11(6-8-25)16(22)27/h1-4,10-11H,5-9H2,(H2,22,27)(H,23,24)
InChIKeyDESGHEFIMOFRJF-UHFFFAOYSA-N
XLogP3.05
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637
N-[(3-methoxyphenyl)methyl]-2-[2-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]-1,3-thiazol-4-yl]acetamide
CID 4117930
N-cyclopentyl-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 16801630
1-(2-Methoxyphenyl)-3-{4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl}urea
CID 16809322
1-(2-Methoxyphenyl)-3-(4-(2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)thiazol-2-yl)urea
CID 16809324
N-[4-(dimethylamino)phenyl]-2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide
CID 16813553
1-(4-(2-(4-(2-Fluorophenyl)piperazin-1-yl)-2-oxoethyl)thiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 18567643
N-(2-fluorophenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567656
N-(2,6-difluorobenzyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567675
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(4-methoxy-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 44394767
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 863792

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (CID 27377818) is 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is DESGHEFIMOFRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S/c19-18(20,21)28-14-3-1-12(2-4-14)23-17-24-13(10-29-17)9-15(26)25-7-5-11(6-8-25)16(22)27/h1-4,10-11H,5-9H2,(H2,22,27)(H,23,24).
What are the key properties of 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 27377818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).