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

C15H13F2NS — CID 43193858

IUPACN-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(NC2CCSc3ccccc32)cc1F
InChIInChI=1S/C15H13F2NS/c16-12-6-5-10(9-13(12)17)18-14-7-8-19-15-4-2-1-3-11(14)15/h1-6,9,14,18H,7-8H2
InChIKeyCJGUYJKLJCEDGG-UHFFFAOYSA-N
MW277.34 g/mol
LogP4.61
Rot. Bonds2

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

N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43193858) has the molecular formula C15H13F2NS and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43193858
Molecular FormulaC15H13F2NS
Molecular Weight277.34 g/mol
Exact Mass277.07
IUPAC NameN-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(NC2CCSc3ccccc32)cc1F
InChIInChI=1S/C15H13F2NS/c16-12-6-5-10(9-13(12)17)18-14-7-8-19-15-4-2-1-3-11(14)15/h1-6,9,14,18H,7-8H2
InChIKeyCJGUYJKLJCEDGG-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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Related Compounds

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CID 43230121
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3-phenyl-3,4-dihydro-2H-1,4-benzothiazine hydrochloride
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3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
CID 4962428
1-(2,4-difluorophenyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
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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
6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 7064118
4-Benzyl-5,7,8-trifluoro-3,4-dihydro-2 h-1,4-benzothiazine
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(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 135040560

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43193858) is N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccc(NC2CCSc3ccccc32)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CJGUYJKLJCEDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NS/c16-12-6-5-10(9-13(12)17)18-14-7-8-19-15-4-2-1-3-11(14)15/h1-6,9,14,18H,7-8H2.
What are the key properties of N-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(3,4-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-(3,4-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43193858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).