N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C11H23N5S — CID 55046460

IUPACN'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1nnsc1N
InChIInChI=1S/C11H23N5S/c1-9(2)7-16(6-5-15(3)4)8-10-11(12)17-14-13-10/h9H,5-8,12H2,1-4H3
InChIKeyOVZQAWYDUFZZMN-UHFFFAOYSA-N
MW257.41 g/mol
LogP1.14
Rot. Bonds7

About N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55046460) has the molecular formula C11H23N5S and a molecular weight of 257.41 g/mol. Its IUPAC name is N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55046460
Molecular FormulaC11H23N5S
Molecular Weight257.41 g/mol
Exact Mass257.17
IUPAC NameN'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1nnsc1N
InChIInChI=1S/C11H23N5S/c1-9(2)7-16(6-5-15(3)4)8-10-11(12)17-14-13-10/h9H,5-8,12H2,1-4H3
InChIKeyOVZQAWYDUFZZMN-UHFFFAOYSA-N
XLogP1.14
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 55046460) is N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)Cc1nnsc1N.
What is the InChIKey of N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is OVZQAWYDUFZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5S/c1-9(2)7-16(6-5-15(3)4)8-10-11(12)17-14-13-10/h9H,5-8,12H2,1-4H3.
What are the key properties of N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 257.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-aminothiadiazol-4-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55046460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).