N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C19H24F3N3OS — CID 59338513

IUPACN-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sc(-c2ccccc2C(F)(F)F)nc1C
InChIInChI=1S/C19H24F3N3OS/c1-4-25(5-2)12-8-11-23-17(26)16-13(3)24-18(27-16)14-9-6-7-10-15(14)19(20,21)22/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,23,26)
InChIKeyRZRHTSVFYVYCDM-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.60
Rot. Bonds8

About N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 59338513) has the molecular formula C19H24F3N3OS and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID59338513
Molecular FormulaC19H24F3N3OS
Molecular Weight399.48 g/mol
Exact Mass399.16
IUPAC NameN-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1sc(-c2ccccc2C(F)(F)F)nc1C
InChIInChI=1S/C19H24F3N3OS/c1-4-25(5-2)12-8-11-23-17(26)16-13(3)24-18(27-16)14-9-6-7-10-15(14)19(20,21)22/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,23,26)
InChIKeyRZRHTSVFYVYCDM-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 59338513) is N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is CCN(CC)CCCNC(=O)c1sc(-c2ccccc2C(F)(F)F)nc1C.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RZRHTSVFYVYCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3OS/c1-4-25(5-2)12-8-11-23-17(26)16-13(3)24-18(27-16)14-9-6-7-10-15(14)19(20,21)22/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).