N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C14H20N4O2S — CID 106970786

IUPACN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(Cc2ccsc2)C2CC2)o1
InChIInChI=1S/C14H20N4O2S/c1-19-6-5-15-8-13-16-17-14(20-13)18(12-2-3-12)9-11-4-7-21-10-11/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3
InChIKeyNSFQBTJOGSCKNX-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.04
Rot. Bonds9

About N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine

N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970786) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106970786
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(Cc2ccsc2)C2CC2)o1
InChIInChI=1S/C14H20N4O2S/c1-19-6-5-15-8-13-16-17-14(20-13)18(12-2-3-12)9-11-4-7-21-10-11/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3
InChIKeyNSFQBTJOGSCKNX-UHFFFAOYSA-N
XLogP2.04
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754275
5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106967784
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509030
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106963014
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 107510098
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 61434640
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106970786) is N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(N(Cc2ccsc2)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NSFQBTJOGSCKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-19-6-5-15-8-13-16-17-14(20-13)18(12-2-3-12)9-11-4-7-21-10-11/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).