N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide

C20H24F3N5O2S — CID 22199140

IUPACN,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C20H24F3N5O2S/c1-13-17(18(30)26(2)3)31-19(24-13)25-16(29)12-27-7-9-28(10-8-27)15-6-4-5-14(11-15)20(21,22)23/h4-6,11H,7-10,12H2,1-3H3,(H,24,25,29)
InChIKeyMWFAKIIFXXWXIS-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.93
Rot. Bonds5

About N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 22199140) has the molecular formula C20H24F3N5O2S and a molecular weight of 455.51 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID22199140
Molecular FormulaC20H24F3N5O2S
Molecular Weight455.51 g/mol
Exact Mass455.16
IUPAC NameN,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C20H24F3N5O2S/c1-13-17(18(30)26(2)3)31-19(24-13)25-16(29)12-27-7-9-28(10-8-27)15-6-4-5-14(11-15)20(21,22)23/h4-6,11H,7-10,12H2,1-3H3,(H,24,25,29)
InChIKeyMWFAKIIFXXWXIS-UHFFFAOYSA-N
XLogP2.93
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide (CID 22199140) is N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is MWFAKIIFXXWXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2S/c1-13-17(18(30)26(2)3)31-19(24-13)25-16(29)12-27-7-9-28(10-8-27)15-6-4-5-14(11-15)20(21,22)23/h4-6,11H,7-10,12H2,1-3H3,(H,24,25,29).
What are the key properties of N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22199140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).