1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine

C14H20N2S — CID 178137897

IUPAC1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine
SMILESC=C(/C=C\C=C/CCC)c1cnc(C(C)N)s1
InChIInChI=1S/C14H20N2S/c1-4-5-6-7-8-9-11(2)13-10-16-14(17-13)12(3)15/h6-10,12H,2,4-5,15H2,1,3H3/b7-6-,9-8-
InChIKeyITCSQVYCSKPOOQ-JPDBVBESSA-N
MW248.39 g/mol
LogP4.09
Rot. Bonds6

About 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine

1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 178137897) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID178137897
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine
SMILESC=C(/C=C\C=C/CCC)c1cnc(C(C)N)s1
InChIInChI=1S/C14H20N2S/c1-4-5-6-7-8-9-11(2)13-10-16-14(17-13)12(3)15/h6-10,12H,2,4-5,15H2,1,3H3/b7-6-,9-8-
InChIKeyITCSQVYCSKPOOQ-JPDBVBESSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine (CID 178137897) is 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine is C=C(/C=C\C=C/CCC)c1cnc(C(C)N)s1.
What is the InChIKey of 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ITCSQVYCSKPOOQ-JPDBVBESSA-N. The full InChI is InChI=1S/C14H20N2S/c1-4-5-6-7-8-9-11(2)13-10-16-14(17-13)12(3)15/h6-10,12H,2,4-5,15H2,1,3H3/b7-6-,9-8-.
What are the key properties of 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine?
1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 248.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 178137897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).