5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole

C12H12BrFNS- — CID 163580088

IUPAC5-(4-fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole
SMILESCC1=C(SC(=N1)C)C2=CC(=C(C=C2)F)[Br-]C
InChIInChI=1S/C12H12BrFNS/c1-7-12(16-8(2)15-7)9-4-5-11(14)10(6-9)13-3/h4-6H,1-3H3/q-1
InChIKeyYDPUUKFQGMUNND-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.20
Rot. Bonds2

About 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole

5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 163580088) has the molecular formula C12H12BrFNS- and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole
PubChem CID163580088
Molecular FormulaC12H12BrFNS-
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name5-(4-fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole
SMILESCC1=C(SC(=N1)C)C2=CC(=C(C=C2)F)[Br-]C
InChIInChI=1S/C12H12BrFNS/c1-7-12(16-8(2)15-7)9-4-5-11(14)10(6-9)13-3/h4-6H,1-3H3/q-1
InChIKeyYDPUUKFQGMUNND-UHFFFAOYSA-N
XLogP4.20
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity241

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromomethyl-4-methyl-2-phenyl-thiazole
CID 2795493
1-(Trifluoromethyl)-4-(2,4-dimethyl-5-thiazolyl)benzene
CID 58245749
5-(3-Fluorophenyl)-2,4-dimethyl-1,3-thiazole
CID 58245751
5-(4-Fluorophenyl)-2,4-dimethyl-1,3-thiazole
CID 59701319
2-[Difluoro(phenyl)methyl]-4,5-dimethyl-1,3-thiazole
CID 134950577
5-((3-Bromophenyl)methyl)-4-methyl-1,3-thiazol-2-amine
CID 43637217
4-Bromomethyl-5-methyl-2-phenylthiazole
CID 9881828
2,4-Dimethyl-5-phenyl-1,3-thiazole
CID 12737256
2-Benzyl-4,5-dimethyl-1,3-thiazole
CID 21218656
2,4-Dimethyl-5-(2-methylphenyl)-1,3-thiazole
CID 66656376
4-[(4-Fluorophenyl)methyl]-5-methyl-2-propan-2-yl-1,3-thiazole
CID 18342650
4-(3-Bromo-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 20785485

Frequently Asked Questions

What is the IUPAC name of 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole (CID 163580088) is 5-(4-fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole is CC1=C(SC(=N1)C)C2=CC(=C(C=C2)F)[Br-]C.
What is the InChIKey of 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is YDPUUKFQGMUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFNS/c1-7-12(16-8(2)15-7)9-4-5-11(14)10(6-9)13-3/h4-6H,1-3H3/q-1.
What are the key properties of 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole?
5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 301.20 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-Fluoro-3-methylbromanuidylphenyl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 163580088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).