4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide

C16H17F3N4O2S — CID 141422989

IUPAC4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Oc2cc(C(F)(F)F)ccc2N2CCNCC2)sc1C(N)=O
InChIInChI=1S/C16H17F3N4O2S/c1-9-13(14(20)24)26-15(22-9)25-12-8-10(16(17,18)19)2-3-11(12)23-6-4-21-5-7-23/h2-3,8,21H,4-7H2,1H3,(H2,20,24)
InChIKeyJGQZIAIFYWHSKJ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.77
Rot. Bonds4

About 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide

4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide (PubChem CID 141422989) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide
PubChem CID141422989
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Oc2cc(C(F)(F)F)ccc2N2CCNCC2)sc1C(N)=O
InChIInChI=1S/C16H17F3N4O2S/c1-9-13(14(20)24)26-15(22-9)25-12-8-10(16(17,18)19)2-3-11(12)23-6-4-21-5-7-23/h2-3,8,21H,4-7H2,1H3,(H2,20,24)
InChIKeyJGQZIAIFYWHSKJ-UHFFFAOYSA-N
XLogP2.77
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide (CID 141422989) is 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide is Cc1nc(Oc2cc(C(F)(F)F)ccc2N2CCNCC2)sc1C(N)=O.
What is the InChIKey of 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide?
The InChIKey is JGQZIAIFYWHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c1-9-13(14(20)24)26-15(22-9)25-12-8-10(16(17,18)19)2-3-11(12)23-6-4-21-5-7-23/h2-3,8,21H,4-7H2,1H3,(H2,20,24).
What are the key properties of 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide?
4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141422989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).