1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride

C11H14ClN3OS — CID 119947853

IUPAC1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
SMILESCl.c1cc(-c2noc(CNCC3CC3)n2)cs1
InChIInChI=1S/C11H13N3OS.ClH/c1-2-8(1)5-12-6-10-13-11(14-15-10)9-3-4-16-7-9;/h3-4,7-8,12H,1-2,5-6H2;1H
InChIKeyULDOJSFRGADXFO-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.72
Rot. Bonds5

About 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride

1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride (PubChem CID 119947853) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
PubChem CID119947853
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
SMILESCl.c1cc(-c2noc(CNCC3CC3)n2)cs1
InChIInChI=1S/C11H13N3OS.ClH/c1-2-8(1)5-12-6-10-13-11(14-15-10)9-3-4-16-7-9;/h3-4,7-8,12H,1-2,5-6H2;1H
InChIKeyULDOJSFRGADXFO-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[3-(3-Thienyl)-1,2,4-oxadiazol-5-yl]methyl}-2-pyrrolidinone
CID 28697096
3-Cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 51086505
1-[1-[(3-Thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 56815344
1-{[3-(Thiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine dihydrochloride
CID 120021628
3-[3-(Thiophen-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine hydrochloride
CID 165875712
[3-(Thiophen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43422880
N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 47010394
tert-butyl N-[(1S)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
CID 71968183
5-[(2,5-Dimethylpyrrolidin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 137985436
3-(3-(Thiophen-3-yl)-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43627783
3-Thiophen-3-yl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45796847
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55933030

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride (CID 119947853) is 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride is Cl.c1cc(-c2noc(CNCC3CC3)n2)cs1.
What is the InChIKey of 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride?
The InChIKey is ULDOJSFRGADXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS.ClH/c1-2-8(1)5-12-6-10-13-11(14-15-10)9-3-4-16-7-9;/h3-4,7-8,12H,1-2,5-6H2;1H.
What are the key properties of 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride?
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 119947853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).