6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine

C12H13F2N3OS — CID 75498312

IUPAC6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine
SMILESCc1noc(C)c1CNc1ccc(SC(F)F)nc1
InChIInChI=1S/C12H13F2N3OS/c1-7-10(8(2)18-17-7)6-15-9-3-4-11(16-5-9)19-12(13)14/h3-5,12,15H,6H2,1-2H3
InChIKeyPESRDAMDNXVCMM-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.61
Rot. Bonds5

About 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine

6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine (PubChem CID 75498312) has the molecular formula C12H13F2N3OS and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine
PubChem CID75498312
Molecular FormulaC12H13F2N3OS
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine
SMILESCc1noc(C)c1CNc1ccc(SC(F)F)nc1
InChIInChI=1S/C12H13F2N3OS/c1-7-10(8(2)18-17-7)6-15-9-3-4-11(16-5-9)19-12(13)14/h3-5,12,15H,6H2,1-2H3
InChIKeyPESRDAMDNXVCMM-UHFFFAOYSA-N
XLogP3.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine (CID 75498312) is 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine is Cc1noc(C)c1CNc1ccc(SC(F)F)nc1.
What is the InChIKey of 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is PESRDAMDNXVCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3OS/c1-7-10(8(2)18-17-7)6-15-9-3-4-11(16-5-9)19-12(13)14/h3-5,12,15H,6H2,1-2H3.
What are the key properties of 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine?
6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 285.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 75498312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).