N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide

C11H12FNOS — CID 47121346

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESCC(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C11H12FNOS/c1-7(14)13-10-4-5-15-11-3-2-8(12)6-9(10)11/h2-3,6,10H,4-5H2,1H3,(H,13,14)
InChIKeyLFBRDDNVCZXWAA-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.50
Rot. Bonds1

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (PubChem CID 47121346) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
PubChem CID47121346
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESCC(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C11H12FNOS/c1-7(14)13-10-4-5-15-11-3-2-8(12)6-9(10)11/h2-3,6,10H,4-5H2,1H3,(H,13,14)
InChIKeyLFBRDDNVCZXWAA-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
tert-butyl N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamate
CID 63790273
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94453338
2-amino-3,3,3-trifluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpropanamide
CID 79791424
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
1-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 81179375
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide;hydrochloride
CID 119274645

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (CID 47121346) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is CC(=O)NC1CCSc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The InChIKey is LFBRDDNVCZXWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-7(14)13-10-4-5-15-11-3-2-8(12)6-9(10)11/h2-3,6,10H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide has a molecular weight of 225.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is sourced from PubChem (CID 47121346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).