2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride

C12H16ClFN2OS — CID 119274634

IUPAC2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)NC1CCSc2ccc(F)cc21.Cl
InChIInChI=1S/C12H15FN2OS.ClH/c1-7(14)12(16)15-10-4-5-17-11-3-2-8(13)6-9(10)11;/h2-3,6-7,10H,4-5,14H2,1H3,(H,15,16);1H
InChIKeyVYUDWURKAJCJIC-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.25
Rot. Bonds2

About 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride

2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride (PubChem CID 119274634) has the molecular formula C12H16ClFN2OS and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
PubChem CID119274634
Molecular FormulaC12H16ClFN2OS
Molecular Weight290.79 g/mol
Exact Mass290.07
IUPAC Name2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)NC1CCSc2ccc(F)cc21.Cl
InChIInChI=1S/C12H15FN2OS.ClH/c1-7(14)12(16)15-10-4-5-17-11-3-2-8(13)6-9(10)11;/h2-3,6-7,10H,4-5,14H2,1H3,(H,15,16);1H
InChIKeyVYUDWURKAJCJIC-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide;hydrochloride
CID 119274645
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 103928686
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxypropanamide
CID 81082533
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide;hydrochloride
CID 119695826
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
3-amino-4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-oxobutanoic acid
CID 64897046
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
(2S)-2-(2,3-dichlorophenoxy)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 38934145
4-tert-butyl-N-[(2S)-1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-oxopropan-2-yl]benzamide
CID 55935959
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yloxyacetamide
CID 47411869
(2S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methylphenoxy)propanamide
CID 31661584

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride (CID 119274634) is 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride is CC(N)C(=O)NC1CCSc2ccc(F)cc21.Cl.
What is the InChIKey of 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride?
The InChIKey is VYUDWURKAJCJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS.ClH/c1-7(14)12(16)15-10-4-5-17-11-3-2-8(13)6-9(10)11;/h2-3,6-7,10H,4-5,14H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride?
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 119274634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).