5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine

C19H13F2N9OS — CID 162722481

IUPAC5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)c2)s1
InChIInChI=1S/C19H13F2N9OS/c20-15(21)18-27-26-17(31-18)12-4-5-13(23-7-12)9-30-28-16(25-29-30)11-3-1-2-10(6-11)14-8-24-19(22)32-14/h1-8,15H,9H2,(H2,22,24)
InChIKeySYSAMWRNOIBBGN-UHFFFAOYSA-N
MW453.44 g/mol
LogP3.48
Rot. Bonds6

About 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine

5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 162722481) has the molecular formula C19H13F2N9OS and a molecular weight of 453.44 g/mol. Its IUPAC name is 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine
PubChem CID162722481
Molecular FormulaC19H13F2N9OS
Molecular Weight453.44 g/mol
Exact Mass453.09
IUPAC Name5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)c2)s1
InChIInChI=1S/C19H13F2N9OS/c20-15(21)18-27-26-17(31-18)12-4-5-13(23-7-12)9-30-28-16(25-29-30)11-3-1-2-10(6-11)14-8-24-19(22)32-14/h1-8,15H,9H2,(H2,22,24)
InChIKeySYSAMWRNOIBBGN-UHFFFAOYSA-N
XLogP3.48
TPSA134.32 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine (CID 162722481) is 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine is Nc1ncc(-c2cccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)c2)s1.
What is the InChIKey of 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is SYSAMWRNOIBBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N9OS/c20-15(21)18-27-26-17(31-18)12-4-5-13(23-7-12)9-30-28-16(25-29-30)11-3-1-2-10(6-11)14-8-24-19(22)32-14/h1-8,15H,9H2,(H2,22,24).
What are the key properties of 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine?
5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 453.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162722481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).