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

C10H9BrFNS — CID 70299630

IUPAC(4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1N=C(Br)SC1c1cccc(F)c1
InChIInChI=1S/C10H9BrFNS/c1-6-9(14-10(11)13-6)7-3-2-4-8(12)5-7/h2-6,9H,1H3/t6-,9?/m1/s1
InChIKeyIFMVMBYSWFONRS-VJSCVCEBSA-N
MW274.16 g/mol
LogP3.75
Rot. Bonds1

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

(4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 70299630) has the molecular formula C10H9BrFNS and a molecular weight of 274.16 g/mol. Its IUPAC name is (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID70299630
Molecular FormulaC10H9BrFNS
Molecular Weight274.16 g/mol
Exact Mass272.96
IUPAC Name(4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1N=C(Br)SC1c1cccc(F)c1
InChIInChI=1S/C10H9BrFNS/c1-6-9(14-10(11)13-6)7-3-2-4-8(12)5-7/h2-6,9H,1H3/t6-,9?/m1/s1
InChIKeyIFMVMBYSWFONRS-VJSCVCEBSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-methylsulfanyl-4-phenyl-4,5-dihydro-1,3-thiazole
CID 391115
2-[2-(4-Fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
CID 101184938
1-(2,4-Difluorophenyl)-3-(methylsulfanyl)propan-2-amine hydrochloride
CID 138039873
4-Phenylthiazoline
CID 18679006
4-Benzyl-2-methyl-4,5-dihydro-1,3-thiazole
CID 21607166
5-Phenyl-4,5-dihydro-1,3-thiazole
CID 22220895
2-Benzyl-4-methyl-4,5-dihydro-1,3-thiazole
CID 67489011
(s)-4-Benzyl-2-thiazoline
CID 129709702
2-[(3-Fluorophenyl)methylthio]-1,3-thiazoline
CID 19727695
2-(2,6-Difluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole
CID 76319736
2-[(3,5-Difluorophenyl)methyl]-4-methyl-4,5-dihydro-1,3-thiazole
CID 53919291
3-[(4-Fluorophenyl)methyl]-1-(3,4,4-trifluorobut-3-enyl)-1lambda4-thia-2,4-diazacyclopenta-1,4-diene
CID 57046014

Frequently Asked Questions

What is the IUPAC name of (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole (CID 70299630) is (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole is C[C@H]1N=C(Br)SC1c1cccc(F)c1.
What is the InChIKey of (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is IFMVMBYSWFONRS-VJSCVCEBSA-N. The full InChI is InChI=1S/C10H9BrFNS/c1-6-9(14-10(11)13-6)7-3-2-4-8(12)5-7/h2-6,9H,1H3/t6-,9?/m1/s1.
What are the key properties of (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole?
(4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 274.16 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-bromo-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70299630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).