N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

C13H14BrN3OS — CID 82831997

IUPACN-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1COc1nnc(CNC2CC2)s1
InChIInChI=1S/C13H14BrN3OS/c14-11-4-2-1-3-9(11)8-18-13-17-16-12(19-13)7-15-10-5-6-10/h1-4,10,15H,5-8H2
InChIKeyWXWNPWLJIZBBON-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.13
Rot. Bonds6

About N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 82831997) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID82831997
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC NameN-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccccc1COc1nnc(CNC2CC2)s1
InChIInChI=1S/C13H14BrN3OS/c14-11-4-2-1-3-9(11)8-18-13-17-16-12(19-13)7-15-10-5-6-10/h1-4,10,15H,5-8H2
InChIKeyWXWNPWLJIZBBON-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
N-[[5-(2-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620035
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623934
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 80623515
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
N-[[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623297
N-[[5-(2-propoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80619952
N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 103045704
N-[[5-[(2-bromophenyl)methoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82826186
N-[[2-[(2-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841820
N-[[5-[3-(trifluoromethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80623438

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 82831997) is N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is Brc1ccccc1COc1nnc(CNC2CC2)s1.
What is the InChIKey of N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is WXWNPWLJIZBBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c14-11-4-2-1-3-9(11)8-18-13-17-16-12(19-13)7-15-10-5-6-10/h1-4,10,15H,5-8H2.
What are the key properties of N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 340.25 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82831997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).