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

C19H22F4N4OS — CID 44527035

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H22F4N4OS/c1-11(2)16-15(25-18(29-16)27-8-6-26(3)7-9-27)17(28)24-14-5-4-12(20)10-13(14)19(21,22)23/h4-5,10-11H,6-9H2,1-3H3,(H,24,28)
InChIKeyCNMZIXJOGDMBQE-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.43
Rot. Bonds4

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

N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 44527035) has the molecular formula C19H22F4N4OS and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID44527035
Molecular FormulaC19H22F4N4OS
Molecular Weight430.47 g/mol
Exact Mass430.15
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H22F4N4OS/c1-11(2)16-15(25-18(29-16)27-8-6-26(3)7-9-27)17(28)24-14-5-4-12(20)10-13(14)19(21,22)23/h4-5,10-11H,6-9H2,1-3H3,(H,24,28)
InChIKeyCNMZIXJOGDMBQE-UHFFFAOYSA-N
XLogP4.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 44527035) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CNMZIXJOGDMBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4OS/c1-11(2)16-15(25-18(29-16)27-8-6-26(3)7-9-27)17(28)24-14-5-4-12(20)10-13(14)19(21,22)23/h4-5,10-11H,6-9H2,1-3H3,(H,24,28).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44527035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).