N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine

C13H25N3S — CID 62403200

IUPACN,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCCNCc1sc(CCN(CC)CC)nc1C
InChIInChI=1S/C13H25N3S/c1-5-14-10-12-11(4)15-13(17-12)8-9-16(6-2)7-3/h14H,5-10H2,1-4H3
InChIKeyKGLAKPYLGVFLNN-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.45
Rot. Bonds8

About N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine

N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 62403200) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID62403200
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCCNCc1sc(CCN(CC)CC)nc1C
InChIInChI=1S/C13H25N3S/c1-5-14-10-12-11(4)15-13(17-12)8-9-16(6-2)7-3/h14H,5-10H2,1-4H3
InChIKeyKGLAKPYLGVFLNN-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine (CID 62403200) is N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine is CCNCc1sc(CCN(CC)CC)nc1C.
What is the InChIKey of N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is KGLAKPYLGVFLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-14-10-12-11(4)15-13(17-12)8-9-16(6-2)7-3/h14H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 255.43 g/mol, XLogP of 2.45, 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)-4-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 62403200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).