N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine

C12H23N3S — CID 61282306

IUPACN,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCNCc1cnc(CCN(CC)CC)s1
InChIInChI=1S/C12H23N3S/c1-4-13-9-11-10-14-12(16-11)7-8-15(5-2)6-3/h10,13H,4-9H2,1-3H3
InChIKeyCEQUNFDUFGYERB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.14
Rot. Bonds8

About N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine

N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 61282306) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID61282306
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCNCc1cnc(CCN(CC)CC)s1
InChIInChI=1S/C12H23N3S/c1-4-13-9-11-10-14-12(16-11)7-8-15(5-2)6-3/h10,13H,4-9H2,1-3H3
InChIKeyCEQUNFDUFGYERB-UHFFFAOYSA-N
XLogP2.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424873
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62403200
N-[[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191171
2-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboximidamide
CID 82424916
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 62653543
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558
2,5-dipropyl-1,3-thiazole
CID 588151
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine (CID 61282306) is N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine is CCNCc1cnc(CCN(CC)CC)s1.
What is the InChIKey of N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is CEQUNFDUFGYERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-13-9-11-10-14-12(16-11)7-8-15(5-2)6-3/h10,13H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine?
N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 241.40 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 61282306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).