N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine

C10H19N3S — CID 57140898

IUPACN-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCC(CC)CNc1nncs1
InChIInChI=1S/C10H19N3S/c1-3-5-6-9(4-2)7-11-10-13-12-8-14-10/h8-9H,3-7H2,1-2H3,(H,11,13)
InChIKeyXGCDQIRVAOGSEI-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.17
Rot. Bonds7

About N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine

N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine (PubChem CID 57140898) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine
PubChem CID57140898
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCC(CC)CNc1nncs1
InChIInChI=1S/C10H19N3S/c1-3-5-6-9(4-2)7-11-10-13-12-8-14-10/h8-9H,3-7H2,1-2H3,(H,11,13)
InChIKeyXGCDQIRVAOGSEI-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-heptan-3-yl-1,3,4-thiadiazol-2-amine
CID 91266698
N-octyl-1,3,4-thiadiazol-2-amine
CID 115563238
N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107648756
N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107648757
N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107648932
1-cyclohexyl-N,N'-bis(1,3,4-thiadiazol-2-yl)methanediamine
CID 342092
N-pentyl-1,3,4-thiadiazol-2-amine
CID 12999906
2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
CID 19016677
2-N-(2-ethylhexyl)-1,3,4-thiadiazole-2,5-diamine
CID 20427076
5-(dodecyldisulfanyl)-N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine
CID 21557798
N-(2-ethylhexyl)-5-(octyldisulfanyl)-1,3,4-thiadiazol-2-amine
CID 21557808
2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
CID 57132111

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine (CID 57140898) is N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine is CCCCC(CC)CNc1nncs1.
What is the InChIKey of N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XGCDQIRVAOGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-5-6-9(4-2)7-11-10-13-12-8-14-10/h8-9H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine?
N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 57140898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).