N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C16H23N3S — CID 82740928

IUPACN-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ncccc1CC
InChIInChI=1S/C16H23N3S/c1-4-8-17-14(10-15-19-12(3)11-20-15)16-13(5-2)7-6-9-18-16/h6-7,9,11,14,17H,4-5,8,10H2,1-3H3
InChIKeyXJRVPYUILUAKLF-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.69
Rot. Bonds7

About N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 82740928) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID82740928
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1ncccc1CC
InChIInChI=1S/C16H23N3S/c1-4-8-17-14(10-15-19-12(3)11-20-15)16-13(5-2)7-6-9-18-16/h6-7,9,11,14,17H,4-5,8,10H2,1-3H3
InChIKeyXJRVPYUILUAKLF-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 62797242
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82729902
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 82741722
1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
CID 82741096
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 82740928) is N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1ncccc1CC.
What is the InChIKey of N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is XJRVPYUILUAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-8-17-14(10-15-19-12(3)11-20-15)16-13(5-2)7-6-9-18-16/h6-7,9,11,14,17H,4-5,8,10H2,1-3H3.
What are the key properties of N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82740928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).