5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine

C12H12BrFN2S — CID 116812191

IUPAC5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C12H12BrFN2S/c1-2-5-15-12-16-7-11(17-12)9-6-8(13)3-4-10(9)14/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeySXQVKSGEMAFMGQ-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.53
Rot. Bonds4

About 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine

5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 116812191) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID116812191
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C12H12BrFN2S/c1-2-5-15-12-16-7-11(17-12)9-6-8(13)3-4-10(9)14/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeySXQVKSGEMAFMGQ-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
N-propyl-5-quinolin-4-yl-1,3-thiazol-2-amine
CID 116812140
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812124
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 79742436
5-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811974
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812134
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
3-[5-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]propanoic acid
CID 84608725
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 79743156

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine (CID 116812191) is 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(Br)ccc2F)s1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is SXQVKSGEMAFMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-2-5-15-12-16-7-11(17-12)9-6-8(13)3-4-10(9)14/h3-4,6-7H,2,5H2,1H3,(H,15,16).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine?
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 315.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).