N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H13F2NS — CID 43196015

IUPACN-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cc(F)cc(NC2CCSc3ccccc32)c1
InChIInChI=1S/C15H13F2NS/c16-10-7-11(17)9-12(8-10)18-14-5-6-19-15-4-2-1-3-13(14)15/h1-4,7-9,14,18H,5-6H2
InChIKeyQZCYVWSPSKGTJH-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.61
Rot. Bonds2

About N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43196015) has the molecular formula C15H13F2NS and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43196015
Molecular FormulaC15H13F2NS
Molecular Weight277.34 g/mol
Exact Mass277.07
IUPAC NameN-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cc(F)cc(NC2CCSc3ccccc32)c1
InChIInChI=1S/C15H13F2NS/c16-10-7-11(17)9-12(8-10)18-14-5-6-19-15-4-2-1-3-13(14)15/h1-4,7-9,14,18H,5-6H2
InChIKeyQZCYVWSPSKGTJH-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43196015) is N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1cc(F)cc(NC2CCSc3ccccc32)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is QZCYVWSPSKGTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NS/c16-10-7-11(17)9-12(8-10)18-14-5-6-19-15-4-2-1-3-13(14)15/h1-4,7-9,14,18H,5-6H2.
What are the key properties of N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 277.34 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43196015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).