4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C20H18F3N3O2S — CID 25484975

IUPAC4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C20H18F3N3O2S/c1-3-10-28-16-8-7-13(20(21,22)23)11-15(16)26-18(27)17-12(2)25-19(29-17)14-6-4-5-9-24-14/h4-9,11H,3,10H2,1-2H3,(H,26,27)
InChIKeyTUCBFBVXFXWRCJ-UHFFFAOYSA-N
MW421.44 g/mol
LogP5.57
Rot. Bonds6

About 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 25484975) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID25484975
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC Name4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C20H18F3N3O2S/c1-3-10-28-16-8-7-13(20(21,22)23)11-15(16)26-18(27)17-12(2)25-19(29-17)14-6-4-5-9-24-14/h4-9,11H,3,10H2,1-2H3,(H,26,27)
InChIKeyTUCBFBVXFXWRCJ-UHFFFAOYSA-N
XLogP5.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 25484975) is 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc(-c2ccccn2)nc1C.
What is the InChIKey of 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TUCBFBVXFXWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c1-3-10-28-16-8-7-13(20(21,22)23)11-15(16)26-18(27)17-12(2)25-19(29-17)14-6-4-5-9-24-14/h4-9,11H,3,10H2,1-2H3,(H,26,27).
What are the key properties of 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 421.44 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25484975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).