1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine

C15H21N3S — CID 82732745

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCc1cccnc1CNC(C)c1nc(C)sc1C
InChIInChI=1S/C15H21N3S/c1-5-13-7-6-8-16-14(13)9-17-10(2)15-11(3)19-12(4)18-15/h6-8,10,17H,5,9H2,1-4H3
InChIKeyNNBWVNKQINLNRM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.57
Rot. Bonds5

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 82732745) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
PubChem CID82732745
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCc1cccnc1CNC(C)c1nc(C)sc1C
InChIInChI=1S/C15H21N3S/c1-5-13-7-6-8-16-14(13)9-17-10(2)15-11(3)19-12(4)18-15/h6-8,10,17H,5,9H2,1-4H3
InChIKeyNNBWVNKQINLNRM-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline
CID 54862115
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
1-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 103114569
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 82732360
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 82733612
N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
CID 82732422

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine (CID 82732745) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine is CCc1cccnc1CNC(C)c1nc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is NNBWVNKQINLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-13-7-6-8-16-14(13)9-17-10(2)15-11(3)19-12(4)18-15/h6-8,10,17H,5,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82732745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).