6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine

C17H18FNS2 — CID 62840030

IUPAC6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc2c(c1)C(NC1CCCc3sccc31)CCS2
InChIInChI=1S/C17H18FNS2/c18-11-4-5-17-13(10-11)15(7-9-21-17)19-14-2-1-3-16-12(14)6-8-20-16/h4-6,8,10,14-15,19H,1-3,7,9H2
InChIKeyYUQRHSRFMJBVFY-UHFFFAOYSA-N
MW319.47 g/mol
LogP5.09
Rot. Bonds2

About 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 62840030) has the molecular formula C17H18FNS2 and a molecular weight of 319.47 g/mol. Its IUPAC name is 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID62840030
Molecular FormulaC17H18FNS2
Molecular Weight319.47 g/mol
Exact Mass319.09
IUPAC Name6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc2c(c1)C(NC1CCCc3sccc31)CCS2
InChIInChI=1S/C17H18FNS2/c18-11-4-5-17-13(10-11)15(7-9-21-17)19-14-2-1-3-16-12(14)6-8-20-16/h4-6,8,10,14-15,19H,1-3,7,9H2
InChIKeyYUQRHSRFMJBVFY-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Related Compounds

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840392
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115714273
N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842173
[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclohexyl]methanol
CID 71915733
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 43230782
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94453338
6-fluoro-N-(2,4,4-trimethylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81303510
N-[1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842289
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 103515455
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine
CID 79127853
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
CID 47121348

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 62840030) is 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccc2c(c1)C(NC1CCCc3sccc31)CCS2.
What is the InChIKey of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is YUQRHSRFMJBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS2/c18-11-4-5-17-13(10-11)15(7-9-21-17)19-14-2-1-3-16-12(14)6-8-20-16/h4-6,8,10,14-15,19H,1-3,7,9H2.
What are the key properties of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine?
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 319.47 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 62840030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).