N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

C15H16BrFN2S — CID 81437309

IUPACN-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nc(C(NC2CC2)c2ccc(Br)c(F)c2)sc1C
InChIInChI=1S/C15H16BrFN2S/c1-8-9(2)20-15(18-8)14(19-11-4-5-11)10-3-6-12(16)13(17)7-10/h3,6-7,11,14,19H,4-5H2,1-2H3
InChIKeyKBYRQNONHFCNDR-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.50
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 81437309) has the molecular formula C15H16BrFN2S and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID81437309
Molecular FormulaC15H16BrFN2S
Molecular Weight355.28 g/mol
Exact Mass354.02
IUPAC NameN-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nc(C(NC2CC2)c2ccc(Br)c(F)c2)sc1C
InChIInChI=1S/C15H16BrFN2S/c1-8-9(2)20-15(18-8)14(19-11-4-5-11)10-3-6-12(16)13(17)7-10/h3,6-7,11,14,19H,4-5H2,1-2H3
InChIKeyKBYRQNONHFCNDR-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578
(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 81436366
N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335065
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 114937745
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
CID 61335837
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
CID 66133712
N-[(3-chloro-4-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 81154611
N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
CID 115733485
1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332321
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
CID 61334276
N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 106531783

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 81437309) is N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1nc(C(NC2CC2)c2ccc(Br)c(F)c2)sc1C.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is KBYRQNONHFCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2S/c1-8-9(2)20-15(18-8)14(19-11-4-5-11)10-3-6-12(16)13(17)7-10/h3,6-7,11,14,19H,4-5H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 355.28 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 81437309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).