2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C19H23F3N4OS — CID 155513503

IUPAC2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H23F3N4OS/c1-12(2)16-15(24-18(28-16)26-10-8-25(3)9-11-26)17(27)23-14-7-5-4-6-13(14)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,27)
InChIKeyNOQPRGXNLLFDIU-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.29
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 155513503) has the molecular formula C19H23F3N4OS and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID155513503
Molecular FormulaC19H23F3N4OS
Molecular Weight412.48 g/mol
Exact Mass412.15
IUPAC Name2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H23F3N4OS/c1-12(2)16-15(24-18(28-16)26-10-8-25(3)9-11-26)17(27)23-14-7-5-4-6-13(14)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,27)
InChIKeyNOQPRGXNLLFDIU-UHFFFAOYSA-N
XLogP4.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 155513503) is 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NOQPRGXNLLFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4OS/c1-12(2)16-15(24-18(28-16)26-10-8-25(3)9-11-26)17(27)23-14-7-5-4-6-13(14)19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,23,27).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155513503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).