2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine

C11H21N3S — CID 80704374

IUPAC2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nc(CC)cs1
InChIInChI=1S/C11H21N3S/c1-3-5-6-10(7-12)14-11-13-9(4-2)8-15-11/h8,10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyZLFGBPPDKGKGMH-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.63
Rot. Bonds7

About 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine

2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine (PubChem CID 80704374) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine
PubChem CID80704374
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nc(CC)cs1
InChIInChI=1S/C11H21N3S/c1-3-5-6-10(7-12)14-11-13-9(4-2)8-15-11/h8,10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyZLFGBPPDKGKGMH-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 55242376
2-N-(4-bromo-1,3-thiazol-2-yl)pentane-1,2-diamine
CID 79399915
3-[(4-ethyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 115691889
3-[2-(octan-4-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 114137997
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119664892
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
CID 80704893
2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62961188
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119664891
N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
CID 115691974
4-ethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazol-2-amine
CID 62961002
N-(1-chloro-3-phenylpropan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65029172
N-(1-chloro-3-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 79260231

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine?
The IUPAC name of 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine (CID 80704374) is 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine is CCCCC(CN)Nc1nc(CC)cs1.
What is the InChIKey of 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine?
The InChIKey is ZLFGBPPDKGKGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-5-6-10(7-12)14-11-13-9(4-2)8-15-11/h8,10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine?
2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine has a molecular weight of 227.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine is sourced from PubChem (CID 80704374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).