2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine

C11H22N4S — CID 57132111

IUPAC2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCCCCC(CC)CN(C)c1nnc(N)s1
InChIInChI=1S/C11H22N4S/c1-4-6-7-9(5-2)8-15(3)11-14-13-10(12)16-11/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyMJPSQKKACNXEPU-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.77
Rot. Bonds7

About 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine

2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 57132111) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID57132111
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCCCCC(CC)CN(C)c1nnc(N)s1
InChIInChI=1S/C11H22N4S/c1-4-6-7-9(5-2)8-15(3)11-14-13-10(12)16-11/h9H,4-8H2,1-3H3,(H2,12,13)
InChIKeyMJPSQKKACNXEPU-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 3245273
N,N-Diisobutyl-1,3,4-thiadiazole-2,5-diamine
CID 5309281
5-(3,5-Dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 6618932
2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
CID 19016677
2-N,2-N-bis(2-ethylhexyl)-1,3,4-thiadiazole-2,5-diamine
CID 20427034
2-N-(2-ethylhexyl)-1,3,4-thiadiazole-2,5-diamine
CID 20427076
N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine
CID 57140898
2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine
CID 57249921
2-N-(5-methylheptyl)-1,3,4-thiadiazole-2,5-diamine
CID 70487845
2-N-(4-methylpentyl)-1,3,4-thiadiazole-2,5-diamine
CID 166565574
2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine
CID 174031718
5-(3-Methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 6917207

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (CID 57132111) is 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is CCCCC(CC)CN(C)c1nnc(N)s1.
What is the InChIKey of 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is MJPSQKKACNXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-4-6-7-9(5-2)8-15(3)11-14-13-10(12)16-11/h9H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 57132111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).