1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine

C16H30N2S — CID 63405862

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1nc(CC)c(C)s1
InChIInChI=1S/C16H30N2S/c1-5-8-9-10-11-15(17-12-6-2)16-18-14(7-3)13(4)19-16/h15,17H,5-12H2,1-4H3
InChIKeyJKOFFSRVHDIIGL-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.03
Rot. Bonds10

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine (PubChem CID 63405862) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
PubChem CID63405862
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1nc(CC)c(C)s1
InChIInChI=1S/C16H30N2S/c1-5-8-9-10-11-15(17-12-6-2)16-18-14(7-3)13(4)19-16/h15,17H,5-12H2,1-4H3
InChIKeyJKOFFSRVHDIIGL-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
CID 62544291
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine
CID 61331537
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 61336142
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
CID 61336236
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 61330235
1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine
CID 105124682
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
CID 61333638
1-(4-bromo-5-methylthiophen-2-yl)-N-propyldecan-1-amine
CID 102827908
1-(4-bromo-5-methylthiophen-2-yl)-N-propylheptan-1-amine
CID 102827771
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine (CID 63405862) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1nc(CC)c(C)s1.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
The InChIKey is JKOFFSRVHDIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-8-9-10-11-15(17-12-6-2)16-18-14(7-3)13(4)19-16/h15,17H,5-12H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine is sourced from PubChem (CID 63405862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).