N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine

C17H20N4OS — CID 120871549

IUPACN'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C17H20N4OS/c18-8-10-21(9-6-14-4-2-1-3-5-14)12-16-19-17(20-22-16)15-7-11-23-13-15/h1-5,7,11,13H,6,8-10,12,18H2
InChIKeyRCCCQUJPVALBMK-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.80
Rot. Bonds8

About N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine

N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 120871549) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID120871549
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C17H20N4OS/c18-8-10-21(9-6-14-4-2-1-3-5-14)12-16-19-17(20-22-16)15-7-11-23-13-15/h1-5,7,11,13H,6,8-10,12,18H2
InChIKeyRCCCQUJPVALBMK-UHFFFAOYSA-N
XLogP2.80
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872425
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912735
2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60696504
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 24534529
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
2-[2-(dimethylamino)ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 107425703
N'-benzyl-N'-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethane-1,2-diamine;hydrochloride
CID 120842477
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
CID 43249554
4-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butanoic acid
CID 55006126
N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine (CID 120871549) is N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1nc(-c2ccsc2)no1.
What is the InChIKey of N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is RCCCQUJPVALBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c18-8-10-21(9-6-14-4-2-1-3-5-14)12-16-19-17(20-22-16)15-7-11-23-13-15/h1-5,7,11,13H,6,8-10,12,18H2.
What are the key properties of N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine?
N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 328.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 120871549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).