isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone

C15H13N3OS — CID 105096486

IUPACisoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)c1cccc2cnccc12
InChIInChI=1S/C15H13N3OS/c1-9(2)13-15(20-18-17-13)14(19)12-5-3-4-10-8-16-7-6-11(10)12/h3-9H,1-2H3
InChIKeyCFVAHXAORORBSS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds3

About isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone

isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105096486) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105096486
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Nameisoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)c1cccc2cnccc12
InChIInChI=1S/C15H13N3OS/c1-9(2)13-15(20-18-17-13)14(19)12-5-3-4-10-8-16-7-6-11(10)12/h3-9H,1-2H3
InChIKeyCFVAHXAORORBSS-UHFFFAOYSA-N
XLogP3.44
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-isoquinolin-5-yl-2-methylsulfonylpropan-1-one
CID 114970914
isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone
CID 114031561
isoquinolin-5-yl-(2-methylsulfanylphenyl)methanone
CID 114970947
(4,5-dimethylthiophen-2-yl)-isoquinolin-5-ylmethanone
CID 114970959
[4-[(1S)-1-aminoethyl]-2-methylphenyl]-isoquinolin-5-ylmethanone;hydrochloride
CID 129114071
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105096486) is isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)c1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is CFVAHXAORORBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9(2)13-15(20-18-17-13)14(19)12-5-3-4-10-8-16-7-6-11(10)12/h3-9H,1-2H3.
What are the key properties of isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone?
isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 283.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105096486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).