2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole

C16H15N3OS2 — CID 167884901

IUPAC2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole
SMILESO=S(Cc1nnc(C2CC2)s1)Cc1cccc2cccnc12
InChIInChI=1S/C16H15N3OS2/c20-22(10-14-18-19-16(21-14)12-6-7-12)9-13-4-1-3-11-5-2-8-17-15(11)13/h1-5,8,12H,6-7,9-10H2
InChIKeyFPHZDCHUUHMVNZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.41
Rot. Bonds5

About 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole

2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole (PubChem CID 167884901) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole
PubChem CID167884901
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole
SMILESO=S(Cc1nnc(C2CC2)s1)Cc1cccc2cccnc12
InChIInChI=1S/C16H15N3OS2/c20-22(10-14-18-19-16(21-14)12-6-7-12)9-13-4-1-3-11-5-2-8-17-15(11)13/h1-5,8,12H,6-7,9-10H2
InChIKeyFPHZDCHUUHMVNZ-UHFFFAOYSA-N
XLogP3.41
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole (CID 167884901) is 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole is O=S(Cc1nnc(C2CC2)s1)Cc1cccc2cccnc12.
What is the InChIKey of 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole?
The InChIKey is FPHZDCHUUHMVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c20-22(10-14-18-19-16(21-14)12-6-7-12)9-13-4-1-3-11-5-2-8-17-15(11)13/h1-5,8,12H,6-7,9-10H2.
What are the key properties of 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole?
2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole has a molecular weight of 329.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(quinolin-8-ylmethylsulfinylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 167884901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).