4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

C12H12BrFN2S — CID 82963289

IUPAC4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccc(Br)cc2F)cs1
InChIInChI=1S/C12H12BrFN2S/c1-7(2)15-12-16-11(6-17-12)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3,(H,15,16)
InChIKeyWSRRRSDZHFRZRB-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.53
Rot. Bonds3

About 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82963289) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82963289
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccc(Br)cc2F)cs1
InChIInChI=1S/C12H12BrFN2S/c1-7(2)15-12-16-11(6-17-12)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3,(H,15,16)
InChIKeyWSRRRSDZHFRZRB-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 82967723
4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 82963453
4-(4-bromo-2-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 82963455
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 82973465
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 55154372
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 82967342
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 82963289) is 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2ccc(Br)cc2F)cs1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is WSRRRSDZHFRZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-7(2)15-12-16-11(6-17-12)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 315.21 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82963289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).