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

C21H17F3N4OS — CID 118463406

IUPAC4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4OS/c1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24/h3-8,10-11H,9H2,1-2H3,(H,27,29)
InChIKeyWPEWKIOKCDXKMW-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.43
Rot. Bonds4

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

4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 118463406) has the molecular formula C21H17F3N4OS and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID118463406
Molecular FormulaC21H17F3N4OS
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H17F3N4OS/c1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24/h3-8,10-11H,9H2,1-2H3,(H,27,29)
InChIKeyWPEWKIOKCDXKMW-UHFFFAOYSA-N
XLogP5.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (CID 118463406) is 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is WPEWKIOKCDXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4OS/c1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24/h3-8,10-11H,9H2,1-2H3,(H,27,29).
What are the key properties of 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118463406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).