4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide

C15H22F3N3OS — CID 126777520

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
SMILESCc1nc(CCCC(=O)NC2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C15H22F3N3OS/c1-11-19-13(9-23-11)3-2-4-14(22)20-12-5-7-21(8-6-12)10-15(16,17)18/h9,12H,2-8,10H2,1H3,(H,20,22)
InChIKeyBGZZTOQSLKKOEX-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.92
Rot. Bonds6

About 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide

4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide (PubChem CID 126777520) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
PubChem CID126777520
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide
SMILESCc1nc(CCCC(=O)NC2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C15H22F3N3OS/c1-11-19-13(9-23-11)3-2-4-14(22)20-12-5-7-21(8-6-12)10-15(16,17)18/h9,12H,2-8,10H2,1H3,(H,20,22)
InChIKeyBGZZTOQSLKKOEX-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide (CID 126777520) is 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide is Cc1nc(CCCC(=O)NC2CCN(CC(F)(F)F)CC2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
The InChIKey is BGZZTOQSLKKOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-11-19-13(9-23-11)3-2-4-14(22)20-12-5-7-21(8-6-12)10-15(16,17)18/h9,12H,2-8,10H2,1H3,(H,20,22).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide?
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide has a molecular weight of 349.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 126777520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).