4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide

C20H15F3N4OS — CID 118335606

IUPAC4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C20H15F3N4OS/c1-12-18(29-11-25-12)19(28)26-15-10-27(16-5-3-2-4-14(15)16)9-13-6-7-17(24-8-13)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,26,28)
InChIKeyNFNSFMDVOUHSOR-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.12
Rot. Bonds4

About 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 118335606) has the molecular formula C20H15F3N4OS and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID118335606
Molecular FormulaC20H15F3N4OS
Molecular Weight416.43 g/mol
Exact Mass416.09
IUPAC Name4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C20H15F3N4OS/c1-12-18(29-11-25-12)19(28)26-15-10-27(16-5-3-2-4-14(15)16)9-13-6-7-17(24-8-13)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,26,28)
InChIKeyNFNSFMDVOUHSOR-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (CID 118335606) is 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NFNSFMDVOUHSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS/c1-12-18(29-11-25-12)19(28)26-15-10-27(16-5-3-2-4-14(15)16)9-13-6-7-17(24-8-13)20(21,22)23/h2-8,10-11H,9H2,1H3,(H,26,28).
What are the key properties of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118335606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).