6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine

C14H13N3OS — CID 106921679

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1nc(Sc2ccc3ncccc3c2N)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-12-6-5-11-10(13(12)15)4-3-7-16-11/h3-7H,15H2,1-2H3
InChIKeyUXFXVFHHOCTTNB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.57
Rot. Bonds2

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine (PubChem CID 106921679) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
PubChem CID106921679
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1nc(Sc2ccc3ncccc3c2N)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-12-6-5-11-10(13(12)15)4-3-7-16-11/h3-7H,15H2,1-2H3
InChIKeyUXFXVFHHOCTTNB-UHFFFAOYSA-N
XLogP3.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine (CID 106921679) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine is Cc1nc(Sc2ccc3ncccc3c2N)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The InChIKey is UXFXVFHHOCTTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-12-6-5-11-10(13(12)15)4-3-7-16-11/h3-7H,15H2,1-2H3.
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine has a molecular weight of 271.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine is sourced from PubChem (CID 106921679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).