5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine

C14H15BrFN3S — CID 120902643

IUPAC5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN(Cc2cc(Br)ccc2F)C2CC2)s1
InChIInChI=1S/C14H15BrFN3S/c15-10-1-4-13(16)9(5-10)7-19(11-2-3-11)8-12-6-18-14(17)20-12/h1,4-6,11H,2-3,7-8H2,(H2,17,18)
InChIKeyNWGSVTUCLPOJHC-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.79
Rot. Bonds5

About 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine

5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120902643) has the molecular formula C14H15BrFN3S and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120902643
Molecular FormulaC14H15BrFN3S
Molecular Weight356.26 g/mol
Exact Mass355.02
IUPAC Name5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN(Cc2cc(Br)ccc2F)C2CC2)s1
InChIInChI=1S/C14H15BrFN3S/c15-10-1-4-13(16)9(5-10)7-19(11-2-3-11)8-12-6-18-14(17)20-12/h1,4-6,11H,2-3,7-8H2,(H2,17,18)
InChIKeyNWGSVTUCLPOJHC-UHFFFAOYSA-N
XLogP3.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(5-bromo-2-fluorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903083
5-[[(3-bromophenyl)methyl-(oxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120904049
5-[[(3-bromophenyl)methyl-(oxan-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904048
5-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898371
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(5-bromo-2-fluorophenyl)methyl]cyclopropanamine
CID 120750907
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine
CID 80672620
2-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopentylamino]ethanol
CID 79771274
N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
CID 119930116
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
CID 16769831

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine (CID 120902643) is 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN(Cc2cc(Br)ccc2F)C2CC2)s1.
What is the InChIKey of 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is NWGSVTUCLPOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3S/c15-10-1-4-13(16)9(5-10)7-19(11-2-3-11)8-12-6-18-14(17)20-12/h1,4-6,11H,2-3,7-8H2,(H2,17,18).
What are the key properties of 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 356.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-bromo-2-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).