N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide

C12H13FN2OS — CID 646627

IUPACN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(C1=NCCCS1)c1ccccc1F
InChIInChI=1S/C12H13FN2OS/c1-9(16)15(12-14-7-4-8-17-12)11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyQZOHBAHXECNCLB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.67
Rot. Bonds1

About N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide

N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 646627) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide
PubChem CID646627
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC NameN-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(C1=NCCCS1)c1ccccc1F
InChIInChI=1S/C12H13FN2OS/c1-9(16)15(12-14-7-4-8-17-12)11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyQZOHBAHXECNCLB-UHFFFAOYSA-N
XLogP2.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431151
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
CID 1431161
4-acetyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)benzenesulfonamide
CID 43817227
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 1431176
N-(2-fluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 2090927
N-bromo-N-(2-fluorophenyl)acetamide
CID 131853313
N-(4-amino-2-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 162428426
3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 3852304
(2S)-1-[(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
CID 9108212
methyl 1-[[(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoyl]amino]cyclopentane-1-carboxylate
CID 55572199
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395
(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
CID 26198839

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide (CID 646627) is N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide is CC(=O)N(C1=NCCCS1)c1ccccc1F.
What is the InChIKey of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is QZOHBAHXECNCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-9(16)15(12-14-7-4-8-17-12)11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide?
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 646627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).