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

C14H13N3OS — CID 106921720

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
SMILESCc1nc(Sc2ccnc3cc(N)ccc23)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-13-5-6-16-12-7-10(15)3-4-11(12)13/h3-7H,15H2,1-2H3
InChIKeyFUCOBVRNFXNAHC-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.57
Rot. Bonds2

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine (PubChem CID 106921720) 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-7-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
PubChem CID106921720
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine
SMILESCc1nc(Sc2ccnc3cc(N)ccc23)oc1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-13-5-6-16-12-7-10(15)3-4-11(12)13/h3-7H,15H2,1-2H3
InChIKeyFUCOBVRNFXNAHC-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'}

Analyze 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-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
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-quinazolin-4-ylsulfanyl-1,3-oxazole
CID 24656803
N-(1,3-oxazol-5-ylmethyl)quinolin-5-amine
CID 65966088
8-methyl-N-(1,3-oxazol-5-ylmethyl)quinolin-5-amine
CID 65966127
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-4,7-diamine
CID 106370078
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374019
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine (CID 106921720) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine is Cc1nc(Sc2ccnc3cc(N)ccc23)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine?
The InChIKey is FUCOBVRNFXNAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-9(2)18-14(17-8)19-13-5-6-16-12-7-10(15)3-4-11(12)13/h3-7H,15H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-7-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-7-amine is sourced from PubChem (CID 106921720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).