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

C15H13ClFNS — CID 43763363

IUPAC6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccccc1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClFNS/c16-10-5-6-15-11(9-10)13(7-8-19-15)18-14-4-2-1-3-12(14)17/h1-6,9,13,18H,7-8H2
InChIKeyCNAMOQIOBWZMBX-UHFFFAOYSA-N
MW293.79 g/mol
LogP5.13
Rot. Bonds2

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

6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43763363) has the molecular formula C15H13ClFNS and a molecular weight of 293.79 g/mol. Its IUPAC name is 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43763363
Molecular FormulaC15H13ClFNS
Molecular Weight293.79 g/mol
Exact Mass293.04
IUPAC Name6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccccc1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClFNS/c16-10-5-6-15-11(9-10)13(7-8-19-15)18-14-4-2-1-3-12(14)17/h1-6,9,13,18H,7-8H2
InChIKeyCNAMOQIOBWZMBX-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.79
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43773146
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-6-fluorobenzonitrile
CID 43778320
6-chloro-N-(2-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232229
N-(2-bromo-3-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 103477914
N-(2-bromo-5-chlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 81263430
N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61075905
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-fluorophenol
CID 64794262
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine
CID 43788137
N-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62815698
N-(4-bromo-2,6-dichlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 63425801
6-chloro-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43757315
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-fluorobenzoic acid
CID 43728124

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43763363) is 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccccc1NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CNAMOQIOBWZMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNS/c16-10-5-6-15-11(9-10)13(7-8-19-15)18-14-4-2-1-3-12(14)17/h1-6,9,13,18H,7-8H2.
What are the key properties of 6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 293.79 g/mol, XLogP of 5.13, 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-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43763363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).