N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide

C19H13F4N3O3S — CID 90039476

IUPACN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide
SMILESO=C(NC1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)c1cnsc1
InChIInChI=1S/C19H13F4N3O3S/c20-13-8-12(3-4-14(13)29-19(21,22)23)18(26-17(27)11-9-25-30-10-11)5-7-28-15-2-1-6-24-16(15)18/h1-4,6,8-10H,5,7H2,(H,26,27)
InChIKeyMMDNPAJMVWUICC-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.03
Rot. Bonds4

About N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide

N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide (PubChem CID 90039476) has the molecular formula C19H13F4N3O3S and a molecular weight of 439.39 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide
PubChem CID90039476
Molecular FormulaC19H13F4N3O3S
Molecular Weight439.39 g/mol
Exact Mass439.06
IUPAC NameN-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide
SMILESO=C(NC1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)c1cnsc1
InChIInChI=1S/C19H13F4N3O3S/c20-13-8-12(3-4-14(13)29-19(21,22)23)18(26-17(27)11-9-25-30-10-11)5-7-28-15-2-1-6-24-16(15)18/h1-4,6,8-10H,5,7H2,(H,26,27)
InChIKeyMMDNPAJMVWUICC-UHFFFAOYSA-N
XLogP4.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide (CID 90039476) is N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide is O=C(NC1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)c1cnsc1.
What is the InChIKey of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is MMDNPAJMVWUICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O3S/c20-13-8-12(3-4-14(13)29-19(21,22)23)18(26-17(27)11-9-25-30-10-11)5-7-28-15-2-1-6-24-16(15)18/h1-4,6,8-10H,5,7H2,(H,26,27).
What are the key properties of N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide?
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 439.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 90039476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).