2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole

C21H19N5O2S — CID 71086046

IUPAC2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2nnc(C)s2)nc1
InChIInChI=1S/C21H19N5O2S/c1-12-25-26-21(29-12)16-9-19-18(4-3-7-22-19)24-20(16)28-11-13-8-15(13)17-6-5-14(27-2)10-23-17/h3-7,9-10,13,15H,8,11H2,1-2H3/t13-,15+/m1/s1
InChIKeyOVKJOGHMYHPWQA-HIFRSBDPSA-N
MW405.48 g/mol
LogP4.04
Rot. Bonds6

About 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole

2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 71086046) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID71086046
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2nnc(C)s2)nc1
InChIInChI=1S/C21H19N5O2S/c1-12-25-26-21(29-12)16-9-19-18(4-3-7-22-19)24-20(16)28-11-13-8-15(13)17-6-5-14(27-2)10-23-17/h3-7,9-10,13,15H,8,11H2,1-2H3/t13-,15+/m1/s1
InChIKeyOVKJOGHMYHPWQA-HIFRSBDPSA-N
XLogP4.04
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole (CID 71086046) is 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole is COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2nnc(C)s2)nc1.
What is the InChIKey of 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is OVKJOGHMYHPWQA-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-12-25-26-21(29-12)16-9-19-18(4-3-7-22-19)24-20(16)28-11-13-8-15(13)17-6-5-14(27-2)10-23-17/h3-7,9-10,13,15H,8,11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole?
2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 405.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 71086046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).