3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide

C19H21ClF3N3OS — CID 90621705

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C19H21ClF3N3OS/c20-16-5-3-13(10-15(16)19(21,22)23)4-6-17(27)25-11-14-2-1-8-26(12-14)18-24-7-9-28-18/h3,5,7,9-10,14H,1-2,4,6,8,11-12H2,(H,25,27)
InChIKeyAZXGXMGHGCIJRM-UHFFFAOYSA-N
MW431.91 g/mol
LogP4.78
Rot. Bonds6

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide

3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide (PubChem CID 90621705) has the molecular formula C19H21ClF3N3OS and a molecular weight of 431.91 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
PubChem CID90621705
Molecular FormulaC19H21ClF3N3OS
Molecular Weight431.91 g/mol
Exact Mass431.10
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C19H21ClF3N3OS/c20-16-5-3-13(10-15(16)19(21,22)23)4-6-17(27)25-11-14-2-1-8-26(12-14)18-24-7-9-28-18/h3,5,7,9-10,14H,1-2,4,6,8,11-12H2,(H,25,27)
InChIKeyAZXGXMGHGCIJRM-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 71810033
3-(4-chloro-3-fluorophenyl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619449
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 90621638
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90619443
3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597302
3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875791
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide (CID 90621705) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide is O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCC1CCCN(c2nccs2)C1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
The InChIKey is AZXGXMGHGCIJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3OS/c20-16-5-3-13(10-15(16)19(21,22)23)4-6-17(27)25-11-14-2-1-8-26(12-14)18-24-7-9-28-18/h3,5,7,9-10,14H,1-2,4,6,8,11-12H2,(H,25,27).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide?
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide has a molecular weight of 431.91 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 90621705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).