N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C23H20F3N3OS — CID 172654152

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H20F3N3OS/c1-29(11-10-16-13-27-20-5-3-2-4-19(16)20)21(30)12-18-14-31-22(28-18)15-6-8-17(9-7-15)23(24,25)26/h2-9,13-14,27H,10-12H2,1H3
InChIKeyVBIKARGIEIIIEC-UHFFFAOYSA-N
MW443.49 g/mol
LogP5.55
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 172654152) has the molecular formula C23H20F3N3OS and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID172654152
Molecular FormulaC23H20F3N3OS
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C23H20F3N3OS/c1-29(11-10-16-13-27-20-5-3-2-4-19(16)20)21(30)12-18-14-31-22(28-18)15-6-8-17(9-7-15)23(24,25)26/h2-9,13-14,27H,10-12H2,1H3
InChIKeyVBIKARGIEIIIEC-UHFFFAOYSA-N
XLogP5.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 172654152) is N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CN(CCc1c[nH]c2ccccc12)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is VBIKARGIEIIIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3OS/c1-29(11-10-16-13-27-20-5-3-2-4-19(16)20)21(30)12-18-14-31-22(28-18)15-6-8-17(9-7-15)23(24,25)26/h2-9,13-14,27H,10-12H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 443.49 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 172654152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).