3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C14H21F3N4O2S — CID 120811257

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N4O2S/c1-10-9-24-13(23)21(10)5-2-12(22)19-8-11(14(15,16)17)20-6-3-18-4-7-20/h9,11,18H,2-8H2,1H3,(H,19,22)
InChIKeyIRMJKAKLBYZELQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP0.56
Rot. Bonds6

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120811257) has the molecular formula C14H21F3N4O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120811257
Molecular FormulaC14H21F3N4O2S
Molecular Weight366.41 g/mol
Exact Mass366.13
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N4O2S/c1-10-9-24-13(23)21(10)5-2-12(22)19-8-11(14(15,16)17)20-6-3-18-4-7-20/h9,11,18H,2-8H2,1H3,(H,19,22)
InChIKeyIRMJKAKLBYZELQ-UHFFFAOYSA-N
XLogP0.56
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120811257) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is Cc1csc(=O)n1CCC(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is IRMJKAKLBYZELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2S/c1-10-9-24-13(23)21(10)5-2-12(22)19-8-11(14(15,16)17)20-6-3-18-4-7-20/h9,11,18H,2-8H2,1H3,(H,19,22).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 366.41 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).