[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid

C12H10BrFN2O2S — CID 118871896

IUPAC[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid
SMILESCC1(c2cc(Br)ccc2F)C=CSC(NC(=O)O)=N1
InChIInChI=1S/C12H10BrFN2O2S/c1-12(8-6-7(13)2-3-9(8)14)4-5-19-10(16-12)15-11(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyZZUDKHRFRMCEIR-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.69
Rot. Bonds1

About [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid

[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid (PubChem CID 118871896) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid
PubChem CID118871896
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid
SMILESCC1(c2cc(Br)ccc2F)C=CSC(NC(=O)O)=N1
InChIInChI=1S/C12H10BrFN2O2S/c1-12(8-6-7(13)2-3-9(8)14)4-5-19-10(16-12)15-11(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyZZUDKHRFRMCEIR-UHFFFAOYSA-N
XLogP3.69
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]-tert-butylcarbamic acid
CID 118866602
[4-(5-bromo-2-fluorophenyl)-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-6-yl]carbamic acid
CID 118173070
[5-(5-bromo-2-fluorophenyl)-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid
CID 135126002
[4-(2,3-difluorophenyl)-4-(fluoromethyl)-1,3-thiazin-2-yl]carbamic acid
CID 118871904
tert-butyl N-[(3R)-3-(5-bromo-2-fluorophenyl)-3,6,6-trimethyl-2H-1,4-thiazin-5-yl]carbamate
CID 118672491
N-[(5R,6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-yl]benzamide
CID 90441791
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxamide
CID 53242163
tert-butyl N-[(4aS,7aS)-7a-(5-bromo-2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]carbamate
CID 135137348
6-(5-bromo-2-fluorophenyl)-3,3,6-trimethyl-2λ6-thia-5-azabicyclo[2.2.0]hex-4-ene 2,2-dioxide
CID 90033412

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid?
The IUPAC name of [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid (CID 118871896) is [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid.
What is the SMILES notation for [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid?
The canonical SMILES for [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid is CC1(c2cc(Br)ccc2F)C=CSC(NC(=O)O)=N1.
What is the InChIKey of [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid?
The InChIKey is ZZUDKHRFRMCEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-12(8-6-7(13)2-3-9(8)14)4-5-19-10(16-12)15-11(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid?
[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid has a molecular weight of 345.19 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]carbamic acid is sourced from PubChem (CID 118871896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).