N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide

C20H13F4N3OS — CID 155598553

IUPACN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide
SMILESO=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2cc[nH]c12
InChIInChI=1S/C20H13F4N3OS/c21-16-3-1-2-15(20(22,23)24)14(16)8-27-19(28)13-7-12(17-9-25-10-29-17)6-11-4-5-26-18(11)13/h1-7,9-10,26H,8H2,(H,27,28)
InChIKeyOHWPABNJODKDQH-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.38
Rot. Bonds4

About N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide

N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide (PubChem CID 155598553) has the molecular formula C20H13F4N3OS and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide
PubChem CID155598553
Molecular FormulaC20H13F4N3OS
Molecular Weight419.40 g/mol
Exact Mass419.07
IUPAC NameN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide
SMILESO=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2cc[nH]c12
InChIInChI=1S/C20H13F4N3OS/c21-16-3-1-2-15(20(22,23)24)14(16)8-27-19(28)13-7-12(17-9-25-10-29-17)6-11-4-5-26-18(11)13/h1-7,9-10,26H,8H2,(H,27,28)
InChIKeyOHWPABNJODKDQH-UHFFFAOYSA-N
XLogP5.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide (CID 155598553) is N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide is O=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-c2cncs2)cc2cc[nH]c12.
What is the InChIKey of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide?
The InChIKey is OHWPABNJODKDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3OS/c21-16-3-1-2-15(20(22,23)24)14(16)8-27-19(28)13-7-12(17-9-25-10-29-17)6-11-4-5-26-18(11)13/h1-7,9-10,26H,8H2,(H,27,28).
What are the key properties of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide?
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-(1,3-thiazol-5-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 155598553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).