5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine

C11H21N3S — CID 107819500

IUPAC5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
SMILESCCCCC(CC)CNc1cc(N)ns1
InChIInChI=1S/C11H21N3S/c1-3-5-6-9(4-2)8-13-11-7-10(12)14-15-11/h7,9,13H,3-6,8H2,1-2H3,(H2,12,14)
InChIKeyFDPAFHTWCVEXBK-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.35
Rot. Bonds7

About 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine

5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine (PubChem CID 107819500) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
PubChem CID107819500
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
SMILESCCCCC(CC)CNc1cc(N)ns1
InChIInChI=1S/C11H21N3S/c1-3-5-6-9(4-2)8-13-11-7-10(12)14-15-11/h7,9,13H,3-6,8H2,1-2H3,(H2,12,14)
InChIKeyFDPAFHTWCVEXBK-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
CID 107818817
5-N-(2-ethylhexyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 107819499
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
CID 114004473
4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
CID 114004532
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
CID 107819531
5,7-dichloro-N-(2-ethylhexyl)-2,1,3-benzothiadiazol-4-amine
CID 65475057
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine (CID 107819500) is 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine is CCCCC(CC)CNc1cc(N)ns1.
What is the InChIKey of 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is FDPAFHTWCVEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-5-6-9(4-2)8-13-11-7-10(12)14-15-11/h7,9,13H,3-6,8H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 227.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 107819500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).