N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine

C20H18FNOS — CID 112773603

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(-c2ccc(CNC3CCSc4ccccc43)o2)cc1
InChIInChI=1S/C20H18FNOS/c21-15-7-5-14(6-8-15)19-10-9-16(23-19)13-22-18-11-12-24-20-4-2-1-3-17(18)20/h1-10,18,22H,11-13H2
InChIKeyHMWOGQBIEMCKLT-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.41
Rot. Bonds4

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 112773603) has the molecular formula C20H18FNOS and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID112773603
Molecular FormulaC20H18FNOS
Molecular Weight339.44 g/mol
Exact Mass339.11
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc(-c2ccc(CNC3CCSc4ccccc43)o2)cc1
InChIInChI=1S/C20H18FNOS/c21-15-7-5-14(6-8-15)19-10-9-16(23-19)13-22-18-11-12-24-20-4-2-1-3-17(18)20/h1-10,18,22H,11-13H2
InChIKeyHMWOGQBIEMCKLT-UHFFFAOYSA-N
XLogP5.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
N-[(2-aminophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66417077
N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43231634
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60777086
N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 166230397
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230785
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 62741615
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54906970

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 112773603) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccc(-c2ccc(CNC3CCSc4ccccc43)o2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is HMWOGQBIEMCKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNOS/c21-15-7-5-14(6-8-15)19-10-9-16(23-19)13-22-18-11-12-24-20-4-2-1-3-17(18)20/h1-10,18,22H,11-13H2.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 339.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 112773603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).