8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

C14H15FN2S2 — CID 63242211

IUPAC8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCCc1nccs1
InChIInChI=1S/C14H15FN2S2/c15-11-3-1-2-10-12(5-8-19-14(10)11)16-6-4-13-17-7-9-18-13/h1-3,7,9,12,16H,4-6,8H2
InChIKeySZDQEAJCLMBGLL-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.65
Rot. Bonds4

About 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 63242211) has the molecular formula C14H15FN2S2 and a molecular weight of 294.42 g/mol. Its IUPAC name is 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID63242211
Molecular FormulaC14H15FN2S2
Molecular Weight294.42 g/mol
Exact Mass294.07
IUPAC Name8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCCc1nccs1
InChIInChI=1S/C14H15FN2S2/c15-11-3-1-2-10-12(5-8-19-14(10)11)16-6-4-13-17-7-9-18-13/h1-3,7,9,12,16H,4-6,8H2
InChIKeySZDQEAJCLMBGLL-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 63242211) is 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NCCc1nccs1.
What is the InChIKey of 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is SZDQEAJCLMBGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S2/c15-11-3-1-2-10-12(5-8-19-14(10)11)16-6-4-13-17-7-9-18-13/h1-3,7,9,12,16H,4-6,8H2.
What are the key properties of 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 294.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 63242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).