3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine

C13H11N3OS — CID 106921318

IUPAC3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
SMILESCc1cc2c(Sc3ncco3)ccc(N)c2cn1
InChIInChI=1S/C13H11N3OS/c1-8-6-9-10(7-16-8)11(14)2-3-12(9)18-13-15-4-5-17-13/h2-7H,14H2,1H3
InChIKeyCLEAMPSQPSYZJX-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds2

About 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine

3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine (PubChem CID 106921318) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine.

Molecular Properties

Compound Name3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
PubChem CID106921318
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
SMILESCc1cc2c(Sc3ncco3)ccc(N)c2cn1
InChIInChI=1S/C13H11N3OS/c1-8-6-9-10(7-16-8)11(14)2-3-12(9)18-13-15-4-5-17-13/h2-7H,14H2,1H3
InChIKeyCLEAMPSQPSYZJX-UHFFFAOYSA-N
XLogP3.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

7-Fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921361
7-Fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921521
4,5-Dimethyl-2-(8-nitroisoquinolin-5-yl)sulfanyl-1,3-oxazole
CID 17525504
N-(1,3-oxazol-5-ylmethyl)isoquinolin-8-amine
CID 80431846
3-Methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 102714129
5-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921325
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
8-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-5-amine
CID 106921365
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-(1,3-Oxazol-2-ylsulfanyl)quinolin-7-amine
CID 106921410
2-(1,3-Oxazol-2-ylsulfanyl)quinolin-6-amine
CID 106921414
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921474

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
The IUPAC name of 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine (CID 106921318) is 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine.
What is the SMILES notation for 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
The canonical SMILES for 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine is Cc1cc2c(Sc3ncco3)ccc(N)c2cn1.
What is the InChIKey of 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
The InChIKey is CLEAMPSQPSYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-6-9-10(7-16-8)11(14)2-3-12(9)18-13-15-4-5-17-13/h2-7H,14H2,1H3.
What are the key properties of 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine?
3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine has a molecular weight of 257.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine is sourced from PubChem (CID 106921318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).