[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine

C14H13N3OS — CID 106923721

IUPAC[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
SMILESCc1coc(Sc2cc(CN)c3ccccc3n2)n1
InChIInChI=1S/C14H13N3OS/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,7,15H2,1H3
InChIKeyDQTAHAHWDNOIHG-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.14
Rot. Bonds3

About [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine

[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine (PubChem CID 106923721) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
PubChem CID106923721
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
SMILESCc1coc(Sc2cc(CN)c3ccccc3n2)n1
InChIInChI=1S/C14H13N3OS/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,7,15H2,1H3
InChIKeyDQTAHAHWDNOIHG-UHFFFAOYSA-N
XLogP3.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine (CID 106923721) is [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine is Cc1coc(Sc2cc(CN)c3ccccc3n2)n1.
What is the InChIKey of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
The InChIKey is DQTAHAHWDNOIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,7,15H2,1H3.
What are the key properties of [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-4-yl]methanamine is sourced from PubChem (CID 106923721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).