5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide

C15H12F3N3OS — CID 167871286

IUPAC5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2c[nH]c3ccccc23)C(F)(F)F)ns1
InChIInChI=1S/C15H12F3N3OS/c1-8-6-12(21-23-8)14(22)20-13(15(16,17)18)10-7-19-11-5-3-2-4-9(10)11/h2-7,13,19H,1H3,(H,20,22)
InChIKeyZOPYQNZWYVXIAD-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.97
Rot. Bonds3

About 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide

5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide (PubChem CID 167871286) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide
PubChem CID167871286
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2c[nH]c3ccccc23)C(F)(F)F)ns1
InChIInChI=1S/C15H12F3N3OS/c1-8-6-12(21-23-8)14(22)20-13(15(16,17)18)10-7-19-11-5-3-2-4-9(10)11/h2-7,13,19H,1H3,(H,20,22)
InChIKeyZOPYQNZWYVXIAD-UHFFFAOYSA-N
XLogP3.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
3-amino-6-(2-carbamoylphenyl)sulfanyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 145216818
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747
diethyl 2-[(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]propanedioate
CID 40525406
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
CID 171245512
ethyl (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propanoate
CID 171245503

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide (CID 167871286) is 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC(c2c[nH]c3ccccc23)C(F)(F)F)ns1.
What is the InChIKey of 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide?
The InChIKey is ZOPYQNZWYVXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-8-6-12(21-23-8)14(22)20-13(15(16,17)18)10-7-19-11-5-3-2-4-9(10)11/h2-7,13,19H,1H3,(H,20,22).
What are the key properties of 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide?
5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide has a molecular weight of 339.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 167871286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).