N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide

C20H14F3N3OS — CID 118335515

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-5-13(6-8-14)9-26-10-16(15-3-1-2-4-18(15)26)25-19(27)17-11-28-12-24-17/h1-8,10-12H,9H2,(H,25,27)
InChIKeyGBOWCJUUZUPQMT-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.42
Rot. Bonds4

About N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide

N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118335515) has the molecular formula C20H14F3N3OS and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID118335515
Molecular FormulaC20H14F3N3OS
Molecular Weight401.41 g/mol
Exact Mass401.08
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-5-13(6-8-14)9-26-10-16(15-3-1-2-4-18(15)26)25-19(27)17-11-28-12-24-17/h1-8,10-12H,9H2,(H,25,27)
InChIKeyGBOWCJUUZUPQMT-UHFFFAOYSA-N
XLogP5.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide (CID 118335515) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GBOWCJUUZUPQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-5-13(6-8-14)9-26-10-16(15-3-1-2-4-18(15)26)25-19(27)17-11-28-12-24-17/h1-8,10-12H,9H2,(H,25,27).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118335515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).