8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

C14H14FNS2 — CID 43232596

IUPAC8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCc1cccs1
InChIInChI=1S/C14H14FNS2/c15-12-5-1-4-11-13(6-8-18-14(11)12)16-9-10-3-2-7-17-10/h1-5,7,13,16H,6,8-9H2
InChIKeyDSTDXHIBLZCNBJ-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.21
Rot. Bonds3

About 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43232596) has the molecular formula C14H14FNS2 and a molecular weight of 279.40 g/mol. Its IUPAC name is 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43232596
Molecular FormulaC14H14FNS2
Molecular Weight279.40 g/mol
Exact Mass279.06
IUPAC Name8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCc1cccs1
InChIInChI=1S/C14H14FNS2/c15-12-5-1-4-11-13(6-8-18-14(11)12)16-9-10-3-2-7-17-10/h1-5,7,13,16H,6,8-9H2
InChIKeyDSTDXHIBLZCNBJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-(furan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115607143
8-fluoro-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81170969
8-fluoro-N-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 63001031
8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63242211
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
8-fluoro-N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43758296
8-fluoro-N-(2-methylsulfinylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115896118
8-fluoro-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 78828678
(4S)-8-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 124699987
8-fluoro-N-[2-(oxolan-3-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 104538069
N-ethyl-9-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539246

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43232596) is 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NCc1cccs1.
What is the InChIKey of 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is DSTDXHIBLZCNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS2/c15-12-5-1-4-11-13(6-8-18-14(11)12)16-9-10-3-2-7-17-10/h1-5,7,13,16H,6,8-9H2.
What are the key properties of 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 279.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43232596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).