N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C12H18N4OS — CID 72862448

IUPACN,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1nnc(NCC(c2sccc2C)N(C)C)o1
InChIInChI=1S/C12H18N4OS/c1-8-5-6-18-11(8)10(16(3)4)7-13-12-15-14-9(2)17-12/h5-6,10H,7H2,1-4H3,(H,13,15)
InChIKeyZJFXPCOMXGDQCU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.46
Rot. Bonds5

About N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 72862448) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID72862448
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1nnc(NCC(c2sccc2C)N(C)C)o1
InChIInChI=1S/C12H18N4OS/c1-8-5-6-18-11(8)10(16(3)4)7-13-12-15-14-9(2)17-12/h5-6,10H,7H2,1-4H3,(H,13,15)
InChIKeyZJFXPCOMXGDQCU-UHFFFAOYSA-N
XLogP2.46
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 72862448) is N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is Cc1nnc(NCC(c2sccc2C)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is ZJFXPCOMXGDQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-5-6-18-11(8)10(16(3)4)7-13-12-15-14-9(2)17-12/h5-6,10H,7H2,1-4H3,(H,13,15).
What are the key properties of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 266.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 72862448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).