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

C19H14F3N5OS — CID 118335410

IUPAC4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C19H14F3N5OS/c1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22/h2-8,10H,9H2,1H3,(H,25,26,28)
InChIKeyLJIDFNMLSQZOIC-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.52
Rot. Bonds4

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

4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 118335410) has the molecular formula C19H14F3N5OS and a molecular weight of 417.42 g/mol. Its IUPAC name is 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID118335410
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC Name4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C19H14F3N5OS/c1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22/h2-8,10H,9H2,1H3,(H,25,26,28)
InChIKeyLJIDFNMLSQZOIC-UHFFFAOYSA-N
XLogP4.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide (CID 118335410) is 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LJIDFNMLSQZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22/h2-8,10H,9H2,1H3,(H,25,26,28).
What are the key properties of 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118335410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).