2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine

C11H21N3S — CID 115432832

IUPAC2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNCc1cscn1
InChIInChI=1S/C11H21N3S/c1-3-11(4-2,7-12)8-13-5-10-6-15-9-14-10/h6,9,13H,3-5,7-8,12H2,1-2H3
InChIKeyDNQNJFNBEZIKMM-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.00
Rot. Bonds7

About 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine

2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (PubChem CID 115432832) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
PubChem CID115432832
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNCc1cscn1
InChIInChI=1S/C11H21N3S/c1-3-11(4-2,7-12)8-13-5-10-6-15-9-14-10/h6,9,13H,3-5,7-8,12H2,1-2H3
InChIKeyDNQNJFNBEZIKMM-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
CID 80556664
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
CID 115295514
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61171194
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (CID 115432832) is 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is CCC(CC)(CN)CNCc1cscn1.
What is the InChIKey of 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The InChIKey is DNQNJFNBEZIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-11(4-2,7-12)8-13-5-10-6-15-9-14-10/h6,9,13H,3-5,7-8,12H2,1-2H3.
What are the key properties of 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine has a molecular weight of 227.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 115432832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).