6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H12ClF2NS — CID 43773146

IUPAC6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc(F)c1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H12ClF2NS/c16-9-4-5-14-10(8-9)13(6-7-20-14)19-15-11(17)2-1-3-12(15)18/h1-5,8,13,19H,6-7H2
InChIKeyFOUDDEKCHUQGQC-UHFFFAOYSA-N
MW311.78 g/mol
LogP5.27
Rot. Bonds2

About 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43773146) has the molecular formula C15H12ClF2NS and a molecular weight of 311.78 g/mol. Its IUPAC name is 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43773146
Molecular FormulaC15H12ClF2NS
Molecular Weight311.78 g/mol
Exact Mass311.03
IUPAC Name6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc(F)c1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H12ClF2NS/c16-9-4-5-14-10(8-9)13(6-7-20-14)19-15-11(17)2-1-3-12(15)18/h1-5,8,13,19H,6-7H2
InChIKeyFOUDDEKCHUQGQC-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.78
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43763363
N-(4-bromo-2,6-dichlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 63425801
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-6-fluorobenzonitrile
CID 43778320
N-(4-bromo-2,6-dimethylphenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 63449196
6-chloro-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43757315
N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 103477914
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-fluorophenol
CID 64794262
N-(2-bromo-5-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 81263430
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
6-chloro-N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232488
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-(2-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232229

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43773146) is 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc(F)c1NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is FOUDDEKCHUQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NS/c16-9-4-5-14-10(8-9)13(6-7-20-14)19-15-11(17)2-1-3-12(15)18/h1-5,8,13,19H,6-7H2.
What are the key properties of 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 311.78 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43773146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).