4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide

C21H15F3N4OS — CID 44591117

IUPAC4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccnc2ccccc12
InChIInChI=1S/C21H15F3N4OS/c22-21(23,24)14-4-3-5-15(10-14)27-20(29)19-18(12-30-28-19)26-11-13-8-9-25-17-7-2-1-6-16(13)17/h1-10,12,26H,11H2,(H,27,29)
InChIKeyBWOICBFNIQMBIO-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.57
Rot. Bonds5

About 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide

4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide (PubChem CID 44591117) has the molecular formula C21H15F3N4OS and a molecular weight of 428.44 g/mol. Its IUPAC name is 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide
PubChem CID44591117
Molecular FormulaC21H15F3N4OS
Molecular Weight428.44 g/mol
Exact Mass428.09
IUPAC Name4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccnc2ccccc12
InChIInChI=1S/C21H15F3N4OS/c22-21(23,24)14-4-3-5-15(10-14)27-20(29)19-18(12-30-28-19)26-11-13-8-9-25-17-7-2-1-6-16(13)17/h1-10,12,26H,11H2,(H,27,29)
InChIKeyBWOICBFNIQMBIO-UHFFFAOYSA-N
XLogP5.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide (CID 44591117) is 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccnc2ccccc12.
What is the InChIKey of 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide?
The InChIKey is BWOICBFNIQMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4OS/c22-21(23,24)14-4-3-5-15(10-14)27-20(29)19-18(12-30-28-19)26-11-13-8-9-25-17-7-2-1-6-16(13)17/h1-10,12,26H,11H2,(H,27,29).
What are the key properties of 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide?
4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 44591117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).