8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine

C14H12FN3OS — CID 106921671

IUPAC8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
SMILESCc1nc(Sc2c(F)cc(N)c3cccnc23)oc1C
InChIInChI=1S/C14H12FN3OS/c1-7-8(2)19-14(18-7)20-13-10(15)6-11(16)9-4-3-5-17-12(9)13/h3-6H,16H2,1-2H3
InChIKeyBQSWPHHSVHSYSV-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.71
Rot. Bonds2

About 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine

8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine (PubChem CID 106921671) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
PubChem CID106921671
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
SMILESCc1nc(Sc2c(F)cc(N)c3cccnc23)oc1C
InChIInChI=1S/C14H12FN3OS/c1-7-8(2)19-14(18-7)20-13-10(15)6-11(16)9-4-3-5-17-12(9)13/h3-6H,16H2,1-2H3
InChIKeyBQSWPHHSVHSYSV-UHFFFAOYSA-N
XLogP3.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine with MolForge

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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
2-Ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole
CID 167862496
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-(1,3-Oxazol-2-ylsulfanyl)quinolin-7-amine
CID 106921410
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]quinolin-7-amine
CID 106921570
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

Frequently Asked Questions

What is the IUPAC name of 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine?
The IUPAC name of 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine (CID 106921671) is 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine is Cc1nc(Sc2c(F)cc(N)c3cccnc23)oc1C.
What is the InChIKey of 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine?
The InChIKey is BQSWPHHSVHSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-7-8(2)19-14(18-7)20-13-10(15)6-11(16)9-4-3-5-17-12(9)13/h3-6H,16H2,1-2H3.
What are the key properties of 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine?
8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine has a molecular weight of 289.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine is sourced from PubChem (CID 106921671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).