(Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid

C15H16N2O2S — CID 13417289

IUPAC(Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid
SMILESO=C(O)CCCC/C=C(/c1cccnc1)c1nccs1
InChIInChI=1S/C15H16N2O2S/c18-14(19)7-3-1-2-6-13(15-17-9-10-20-15)12-5-4-8-16-11-12/h4-6,8-11H,1-3,7H2,(H,18,19)/b13-6-
InChIKeyRHYLTJAYGMTSBA-MLPAPPSSSA-N
MW288.37 g/mol
LogP3.61
Rot. Bonds7

About (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid

(Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid (PubChem CID 13417289) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid
PubChem CID13417289
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid
SMILESO=C(O)CCCC/C=C(/c1cccnc1)c1nccs1
InChIInChI=1S/C15H16N2O2S/c18-14(19)7-3-1-2-6-13(15-17-9-10-20-15)12-5-4-8-16-11-12/h4-6,8-11H,1-3,7H2,(H,18,19)/b13-6-
InChIKeyRHYLTJAYGMTSBA-MLPAPPSSSA-N
XLogP3.61
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid?
The IUPAC name of (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid (CID 13417289) is (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid.
What is the SMILES notation for (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid?
The canonical SMILES for (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid is O=C(O)CCCC/C=C(/c1cccnc1)c1nccs1.
What is the InChIKey of (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid?
The InChIKey is RHYLTJAYGMTSBA-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(19)7-3-1-2-6-13(15-17-9-10-20-15)12-5-4-8-16-11-12/h4-6,8-11H,1-3,7H2,(H,18,19)/b13-6-.
What are the key properties of (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid?
(Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid has a molecular weight of 288.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-pyridin-3-yl-7-(1,3-thiazol-2-yl)hept-6-enoic acid is sourced from PubChem (CID 13417289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).