N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine

C10H20N4S — CID 84761941

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(CN)cs1
InChIInChI=1S/C10H20N4S/c1-3-14(4-2)6-5-12-10-13-9(7-11)8-15-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyOMQNKLLIGGBEKX-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.36
Rot. Bonds7

About N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 84761941) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID84761941
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(CN)cs1
InChIInChI=1S/C10H20N4S/c1-3-14(4-2)6-5-12-10-13-9(7-11)8-15-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyOMQNKLLIGGBEKX-UHFFFAOYSA-N
XLogP1.36
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 84761995
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 84761937
3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 84761905
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 84761962
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 84761943
4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 54244678
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine (CID 84761941) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1nc(CN)cs1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is OMQNKLLIGGBEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-14(4-2)6-5-12-10-13-9(7-11)8-15-10/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 84761941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).