4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine

C12H12BrFN2S — CID 62083253

IUPAC4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2ccc(F)c(Br)c2)c(N)s1
InChIInChI=1S/C12H12BrFN2S/c1-2-3-10-16-11(12(15)17-10)7-4-5-9(14)8(13)6-7/h4-6H,2-3,15H2,1H3
InChIKeyBVSNOBHVPYKIER-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.25
Rot. Bonds3

About 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine

4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine (PubChem CID 62083253) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine
PubChem CID62083253
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2ccc(F)c(Br)c2)c(N)s1
InChIInChI=1S/C12H12BrFN2S/c1-2-3-10-16-11(12(15)17-10)7-4-5-9(14)8(13)6-7/h4-6H,2-3,15H2,1H3
InChIKeyBVSNOBHVPYKIER-UHFFFAOYSA-N
XLogP4.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine (CID 62083253) is 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine is CCCc1nc(-c2ccc(F)c(Br)c2)c(N)s1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine?
The InChIKey is BVSNOBHVPYKIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-2-3-10-16-11(12(15)17-10)7-4-5-9(14)8(13)6-7/h4-6H,2-3,15H2,1H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine?
4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine has a molecular weight of 315.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62083253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).