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

C14H13N3OS — CID 106921501

IUPAC2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
SMILESCc1coc(Sc2cc(C)nc3ccc(N)cc23)n1
InChIInChI=1S/C14H13N3OS/c1-8-5-13(19-14-17-9(2)7-18-14)11-6-10(15)3-4-12(11)16-8/h3-7H,15H2,1-2H3
InChIKeyIJKLJQTUZRQSTB-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.57
Rot. Bonds2

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

2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine (PubChem CID 106921501) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine.

Molecular Properties

Compound Name2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
PubChem CID106921501
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
SMILESCc1coc(Sc2cc(C)nc3ccc(N)cc23)n1
InChIInChI=1S/C14H13N3OS/c1-8-5-13(19-14-17-9(2)7-18-14)11-6-10(15)3-4-12(11)16-8/h3-7H,15H2,1-2H3
InChIKeyIJKLJQTUZRQSTB-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 ≤ 500271.35
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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Related Compounds

2-[(2,5-dimethyl-1H-indol-3-yl)sulfanyl]-4-methyl-1,3-oxazole
CID 67020543
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
3-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921478
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485
8-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921512
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-6-amine
CID 106921552
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
CID 106921570
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921574
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921591
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921597
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
The IUPAC name of 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine (CID 106921501) is 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine.
What is the SMILES notation for 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
The canonical SMILES for 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine is Cc1coc(Sc2cc(C)nc3ccc(N)cc23)n1.
What is the InChIKey of 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
The InChIKey is IJKLJQTUZRQSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-5-13(19-14-17-9(2)7-18-14)11-6-10(15)3-4-12(11)16-8/h3-7H,15H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine has a molecular weight of 271.35 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 2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine is sourced from PubChem (CID 106921501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).