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

C14H13N3OS — CID 106921630

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
SMILESCc1nc(Sc2ccnc3c(N)cccc23)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-12-6-7-16-13-10(12)4-3-5-11(13)15/h3-7H,15H2,1-2H3
InChIKeyIDGSLANSXMUHBI-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.57
Rot. Bonds2

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine (PubChem CID 106921630) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
PubChem CID106921630
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
SMILESCc1nc(Sc2ccnc3c(N)cccc23)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-12-6-7-16-13-10(12)4-3-5-11(13)15/h3-7H,15H2,1-2H3
InChIKeyIDGSLANSXMUHBI-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

8-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
CID 106921671
2-Ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole
CID 167862496
4,5-Dimethyl-2-(quinoxalin-2-ylsulfanylmethyl)-1,3-oxazole
CID 47073218
N-(1,3-oxazol-5-ylmethyl)quinolin-8-amine
CID 65964371
2-methyl-N-(1,3-oxazol-5-ylmethyl)quinolin-8-amine
CID 65966154
5-Tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole
CID 91644644
8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
CID 106369866
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,8-diamine
CID 106369914
5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
CID 106369927
6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]isoquinoline-5,6-diamine
CID 106370021
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine
CID 106370092
4-(1,3-Oxazol-2-ylsulfanyl)quinolin-7-amine
CID 106921410

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine (CID 106921630) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine is Cc1nc(Sc2ccnc3c(N)cccc23)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
The InChIKey is IDGSLANSXMUHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-12-6-7-16-13-10(12)4-3-5-11(13)15/h3-7H,15H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-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 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine is sourced from PubChem (CID 106921630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).