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

C16H23N3S — CID 104841727

IUPACN-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1cnccc1-c1nc(CC)c(CNC(C)C)s1
InChIInChI=1S/C16H23N3S/c1-5-12-9-17-8-7-13(12)16-19-14(6-2)15(20-16)10-18-11(3)4/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyXCQFRXKMRWFGIR-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.83
Rot. Bonds6

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

N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 104841727) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID104841727
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1cnccc1-c1nc(CC)c(CNC(C)C)s1
InChIInChI=1S/C16H23N3S/c1-5-12-9-17-8-7-13(12)16-19-14(6-2)15(20-16)10-18-11(3)4/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyXCQFRXKMRWFGIR-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 104841727) is N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1cnccc1-c1nc(CC)c(CNC(C)C)s1.
What is the InChIKey of N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XCQFRXKMRWFGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-12-9-17-8-7-13(12)16-19-14(6-2)15(20-16)10-18-11(3)4/h7-9,11,18H,5-6,10H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 104841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).