N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine

C17H21BrN2S — CID 63019452

IUPACN-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESCc1ncc(CC(CNC2CC2)Cc2cccc(Br)c2)s1
InChIInChI=1S/C17H21BrN2S/c1-12-19-11-17(21-12)9-14(10-20-16-5-6-16)7-13-3-2-4-15(18)8-13/h2-4,8,11,14,16,20H,5-7,9-10H2,1H3
InChIKeyMPBZVRGNSDRRMS-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.37
Rot. Bonds7

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

N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine (PubChem CID 63019452) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
PubChem CID63019452
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC NameN-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESCc1ncc(CC(CNC2CC2)Cc2cccc(Br)c2)s1
InChIInChI=1S/C17H21BrN2S/c1-12-19-11-17(21-12)9-14(10-20-16-5-6-16)7-13-3-2-4-15(18)8-13/h2-4,8,11,14,16,20H,5-7,9-10H2,1H3
InChIKeyMPBZVRGNSDRRMS-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl]-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143678
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195
N-[2-[(3-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053018
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66050768
2-[(3-bromophenyl)methyl]-3-(5-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63522640
N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
CID 79431040
2-[(3-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 63521745

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine (CID 63019452) is N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine is Cc1ncc(CC(CNC2CC2)Cc2cccc(Br)c2)s1.
What is the InChIKey of N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
The InChIKey is MPBZVRGNSDRRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-12-19-11-17(21-12)9-14(10-20-16-5-6-16)7-13-3-2-4-15(18)8-13/h2-4,8,11,14,16,20H,5-7,9-10H2,1H3.
What are the key properties of N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine has a molecular weight of 365.34 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 63019452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).