5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C20H21N5OS — CID 90288286

IUPAC5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESC1=C(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CCOC1
InChIInChI=1S/C20H21N5OS/c1-2-4-14(3-1)19-24-25-20(27-19)23-18-6-5-16-17(22-18)11-15(12-21-16)13-7-9-26-10-8-13/h5-7,11-12,14H,1-4,8-10H2,(H,22,23,25)
InChIKeyYLRKMMFWJGVARW-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.69
Rot. Bonds4

About 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90288286) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90288286
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESC1=C(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CCOC1
InChIInChI=1S/C20H21N5OS/c1-2-4-14(3-1)19-24-25-20(27-19)23-18-6-5-16-17(22-18)11-15(12-21-16)13-7-9-26-10-8-13/h5-7,11-12,14H,1-4,8-10H2,(H,22,23,25)
InChIKeyYLRKMMFWJGVARW-UHFFFAOYSA-N
XLogP4.69
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 90288286) is 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is C1=C(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CCOC1.
What is the InChIKey of 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YLRKMMFWJGVARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-2-4-14(3-1)19-24-25-20(27-19)23-18-6-5-16-17(22-18)11-15(12-21-16)13-7-9-26-10-8-13/h5-7,11-12,14H,1-4,8-10H2,(H,22,23,25).
What are the key properties of 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 379.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).