2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C11H22N4S — CID 103191881

IUPAC2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncc(CN)s1)C(C)CN(C)C
InChIInChI=1S/C11H22N4S/c1-5-15(9(2)8-14(3)4)11-13-7-10(6-12)16-11/h7,9H,5-6,8,12H2,1-4H3
InChIKeyIEYGJYBSUSKANR-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.38
Rot. Bonds6

About 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191881) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191881
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncc(CN)s1)C(C)CN(C)C
InChIInChI=1S/C11H22N4S/c1-5-15(9(2)8-14(3)4)11-13-7-10(6-12)16-11/h7,9H,5-6,8,12H2,1-4H3
InChIKeyIEYGJYBSUSKANR-UHFFFAOYSA-N
XLogP1.38
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191881) is 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1ncc(CN)s1)C(C)CN(C)C.
What is the InChIKey of 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is IEYGJYBSUSKANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-5-15(9(2)8-14(3)4)11-13-7-10(6-12)16-11/h7,9H,5-6,8,12H2,1-4H3.
What are the key properties of 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).