(4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole

C11H11BrFNS2 — CID 97065729

IUPAC(4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CSC(SCc2cc(F)ccc2Br)=N1
InChIInChI=1S/C11H11BrFNS2/c1-7-5-15-11(14-7)16-6-8-4-9(13)2-3-10(8)12/h2-4,7H,5-6H2,1H3/t7-/m1/s1
InChIKeyHIHCXDLVSASAOZ-SSDOTTSWSA-N
MW320.25 g/mol
LogP4.31
Rot. Bonds2

About (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole

(4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 97065729) has the molecular formula C11H11BrFNS2 and a molecular weight of 320.25 g/mol. Its IUPAC name is (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID97065729
Molecular FormulaC11H11BrFNS2
Molecular Weight320.25 g/mol
Exact Mass318.95
IUPAC Name(4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CSC(SCc2cc(F)ccc2Br)=N1
InChIInChI=1S/C11H11BrFNS2/c1-7-5-15-11(14-7)16-6-8-4-9(13)2-3-10(8)12/h2-4,7H,5-6H2,1H3/t7-/m1/s1
InChIKeyHIHCXDLVSASAOZ-SSDOTTSWSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole with MolForge

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
2-[2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 29293504
4-[(2-bromo-5-fluorophenyl)methylsulfanyl]-3-fluoroaniline
CID 43303356
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
1-[(2-bromo-5-fluorophenyl)methylsulfanyl]propan-2-amine
CID 66217735
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
1-bromo-2-[(2,5-difluorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65325800
3-[(2-bromo-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226350
ethyl 5-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
CID 116700340
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913562
1-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole (CID 97065729) is (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole is C[C@@H]1CSC(SCc2cc(F)ccc2Br)=N1.
What is the InChIKey of (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is HIHCXDLVSASAOZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11BrFNS2/c1-7-5-15-11(14-7)16-6-8-4-9(13)2-3-10(8)12/h2-4,7H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
(4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 320.25 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 97065729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).