8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

C15H18FN3S — CID 43791855

IUPAC8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(Cn1cccn1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C15H18FN3S/c1-11(10-19-8-3-7-17-19)18-14-6-9-20-15-12(14)4-2-5-13(15)16/h2-5,7-8,11,14,18H,6,9-10H2,1H3
InChIKeyRHVMXJKKZUXXHT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.24
Rot. Bonds4

About 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43791855) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43791855
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(Cn1cccn1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C15H18FN3S/c1-11(10-19-8-3-7-17-19)18-14-6-9-20-15-12(14)4-2-5-13(15)16/h2-5,7-8,11,14,18H,6,9-10H2,1H3
InChIKeyRHVMXJKKZUXXHT-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43791855) is 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is CC(Cn1cccn1)NC1CCSc2c(F)cccc21.
What is the InChIKey of 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is RHVMXJKKZUXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-11(10-19-8-3-7-17-19)18-14-6-9-20-15-12(14)4-2-5-13(15)16/h2-5,7-8,11,14,18H,6,9-10H2,1H3.
What are the key properties of 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 291.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43791855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).