isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone

C14H10N2OS — CID 114031561

IUPACisoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)c2cccc3cnccc23)s1
InChIInChI=1S/C14H10N2OS/c1-9-16-8-13(18-9)14(17)12-4-2-3-10-7-15-6-5-11(10)12/h2-8H,1H3
InChIKeyXDSQGOUYILNVNF-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.23
Rot. Bonds2

About isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone

isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 114031561) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID114031561
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Nameisoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)c2cccc3cnccc23)s1
InChIInChI=1S/C14H10N2OS/c1-9-16-8-13(18-9)14(17)12-4-2-3-10-7-15-6-5-11(10)12/h2-8H,1H3
InChIKeyXDSQGOUYILNVNF-UHFFFAOYSA-N
XLogP3.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dimethylthiophen-2-yl)-isoquinolin-5-ylmethanone
CID 114970959
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
isoquinolin-5-yl-(2-methylsulfanylphenyl)methanone
CID 114970947
(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988
isoquinolin-5-yl-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105096486
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 114970995
4-chloro-1-isoquinolin-5-ylbutan-1-one
CID 66047534
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
2-[4-(isoquinoline-5-carbonyl)phenyl]ethylcarbamic acid
CID 118326171
N,N-diethylisoquinoline-5-carboxamide
CID 86202974
1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone (CID 114031561) is isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone is Cc1ncc(C(=O)c2cccc3cnccc23)s1.
What is the InChIKey of isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is XDSQGOUYILNVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-9-16-8-13(18-9)14(17)12-4-2-3-10-7-15-6-5-11(10)12/h2-8H,1H3.
What are the key properties of isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone?
isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 114031561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).