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

C15H14FNS — CID 43194669

IUPACN-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(NC2CCSc3ccccc32)cc1
InChIInChI=1S/C15H14FNS/c16-11-5-7-12(8-6-11)17-14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,17H,9-10H2
InChIKeyBDPZNIISQZUGBO-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.47
Rot. Bonds2

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

N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43194669) has the molecular formula C15H14FNS and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43194669
Molecular FormulaC15H14FNS
Molecular Weight259.35 g/mol
Exact Mass259.08
IUPAC NameN-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(NC2CCSc3ccccc32)cc1
InChIInChI=1S/C15H14FNS/c16-11-5-7-12(8-6-11)17-14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,17H,9-10H2
InChIKeyBDPZNIISQZUGBO-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43230121
1-(Thiochroman-4-yl)-3-(p-tolyl)thiourea
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1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(3-methylphenyl)thiourea
CID 24671701
N-[4-(methylsulfanyl)benzyl]-N-phenylamine
CID 834592
3-phenyl-3,4-dihydro-2H-1,4-benzothiazine hydrochloride
CID 16248223
3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
CID 4962428
1-(2,4-difluorophenyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
CID 24235282
3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 24905663
10,11-Dihydrodibenzo(b,f)(1,4)thiazepine
CID 12310482
11-Methyl-10,11-dihydrodibenzo[b,f][1,4]thiazepine
CID 23880235
2-Thia-9-azatricyclo(9.4.0.0,3,8)pentadeca-1(15),3,5,7,11,13-hexaene hydrochloride
CID 165951076
(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 135040560

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43194669) is N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccc(NC2CCSc3ccccc32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is BDPZNIISQZUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNS/c16-11-5-7-12(8-6-11)17-14-9-10-18-15-4-2-1-3-13(14)15/h1-8,14,17H,9-10H2.
What are the key properties of N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 259.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43194669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).