N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

C19H20F4N4O2S — CID 133435172

IUPACN-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C2CCN(c3nc(C4CC4)ns3)CC2NC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C19H20F4N4O2S/c1-29-15-5-4-11(8-13(15)20)12-6-7-27(9-14(12)24-17(28)19(21,22)23)18-25-16(26-30-18)10-2-3-10/h4-5,8,10,12,14H,2-3,6-7,9H2,1H3,(H,24,28)
InChIKeyOVAAKTGCLIAUDH-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.60
Rot. Bonds5

About N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 133435172) has the molecular formula C19H20F4N4O2S and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID133435172
Molecular FormulaC19H20F4N4O2S
Molecular Weight444.45 g/mol
Exact Mass444.12
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(C2CCN(c3nc(C4CC4)ns3)CC2NC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C19H20F4N4O2S/c1-29-15-5-4-11(8-13(15)20)12-6-7-27(9-14(12)24-17(28)19(21,22)23)18-25-16(26-30-18)10-2-3-10/h4-5,8,10,12,14H,2-3,6-7,9H2,1H3,(H,24,28)
InChIKeyOVAAKTGCLIAUDH-UHFFFAOYSA-N
XLogP3.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-amino-6-chloropyrimidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133435169
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440214
3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 64909846
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-3-carboxylate
CID 133430323
[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 133335465
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
CID 82625034
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (CID 133435172) is N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is COc1ccc(C2CCN(c3nc(C4CC4)ns3)CC2NC(=O)C(F)(F)F)cc1F.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is OVAAKTGCLIAUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O2S/c1-29-15-5-4-11(8-13(15)20)12-6-7-27(9-14(12)24-17(28)19(21,22)23)18-25-16(26-30-18)10-2-3-10/h4-5,8,10,12,14H,2-3,6-7,9H2,1H3,(H,24,28).
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 444.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 133435172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).