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

C13H12BrClN2S — CID 66156470

IUPACN-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESClc1ccc(Br)c(C(NC2CC2)c2nccs2)c1
InChIInChI=1S/C13H12BrClN2S/c14-11-4-1-8(15)7-10(11)12(17-9-2-3-9)13-16-5-6-18-13/h1,4-7,9,12,17H,2-3H2
InChIKeyINQRDYOVMBAYRV-UHFFFAOYSA-N
MW343.68 g/mol
LogP4.40
Rot. Bonds4

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

N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 66156470) has the molecular formula C13H12BrClN2S and a molecular weight of 343.68 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID66156470
Molecular FormulaC13H12BrClN2S
Molecular Weight343.68 g/mol
Exact Mass341.96
IUPAC NameN-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESClc1ccc(Br)c(C(NC2CC2)c2nccs2)c1
InChIInChI=1S/C13H12BrClN2S/c14-11-4-1-8(15)7-10(11)12(17-9-2-3-9)13-16-5-6-18-13/h1,4-7,9,12,17H,2-3H2
InChIKeyINQRDYOVMBAYRV-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.68
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 66157853
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83230978
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115380884
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115959886
N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 54977283
N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79982575
N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 62700187
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79981023
N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66156268
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 66156470) is N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is Clc1ccc(Br)c(C(NC2CC2)c2nccs2)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is INQRDYOVMBAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2S/c14-11-4-1-8(15)7-10(11)12(17-9-2-3-9)13-16-5-6-18-13/h1,4-7,9,12,17H,2-3H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 343.68 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66156470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).