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

C14H13N3OS — CID 106921725

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
SMILESCc1nc(Sc2ccc3cc(N)ccc3n2)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(16-8)19-13-6-3-10-7-11(15)4-5-12(10)17-13/h3-7H,15H2,1-2H3
InChIKeyBUUDHMQVUQGCCG-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.57
Rot. Bonds2

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine (PubChem CID 106921725) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
PubChem CID106921725
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
SMILESCc1nc(Sc2ccc3cc(N)ccc3n2)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(16-8)19-13-6-3-10-7-11(15)4-5-12(10)17-13/h3-7H,15H2,1-2H3
InChIKeyBUUDHMQVUQGCCG-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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Launch Full Analysis

Related Compounds

N-(acridin-9-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 28405112
2-[(2-Chloroquinolin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 103607415
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
2-Methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine
CID 106921501
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
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921630
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylisoquinolin-8-amine
CID 106921633
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921639
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylquinolin-6-amine
CID 106921653

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine (CID 106921725) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine is Cc1nc(Sc2ccc3cc(N)ccc3n2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
The InChIKey is BUUDHMQVUQGCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-9(2)18-14(16-8)19-13-6-3-10-7-11(15)4-5-12(10)17-13/h3-7H,15H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine?
2-[(4,5-dimethyl-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-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-6-amine is sourced from PubChem (CID 106921725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).