N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine

C15H15N3OS2 — CID 71884001

IUPACN-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESc1csc(-c2noc(CN(Cc3ccsc3)C3CC3)n2)c1
InChIInChI=1S/C15H15N3OS2/c1-2-13(21-6-1)15-16-14(19-17-15)9-18(12-3-4-12)8-11-5-7-20-10-11/h1-2,5-7,10,12H,3-4,8-9H2
InChIKeyYLIGEGITYRDJOC-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.02
Rot. Bonds6

About N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine

N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 71884001) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
PubChem CID71884001
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
SMILESc1csc(-c2noc(CN(Cc3ccsc3)C3CC3)n2)c1
InChIInChI=1S/C15H15N3OS2/c1-2-13(21-6-1)15-16-14(19-17-15)9-18(12-3-4-12)8-11-5-7-20-10-11/h1-2,5-7,10,12H,3-4,8-9H2
InChIKeyYLIGEGITYRDJOC-UHFFFAOYSA-N
XLogP4.02
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-N-(thiophen-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117389
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243021
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233181
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62436984
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 80609529
N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 56549190
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 78850653
N-(3-methylbutan-2-yl)-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]cyclopropanamine
CID 60504043
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine
CID 50954177
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61434645

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine (CID 71884001) is N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is c1csc(-c2noc(CN(Cc3ccsc3)C3CC3)n2)c1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is YLIGEGITYRDJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-2-13(21-6-1)15-16-14(19-17-15)9-18(12-3-4-12)8-11-5-7-20-10-11/h1-2,5-7,10,12H,3-4,8-9H2.
What are the key properties of N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine?
N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 317.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 71884001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).