(3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid

C17H18N2O3S — CID 143275585

IUPAC(3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
SMILESC=C/C=C\C=C(C)C.O=C(O)c1cnc(Oc2cccnc2)s1
InChIInChI=1S/C9H6N2O3S.C8H12/c12-8(13)7-5-11-9(15-7)14-6-2-1-3-10-4-6;1-4-5-6-7-8(2)3/h1-5H,(H,12,13);4-7H,1H2,2-3H3/b;6-5-
InChIKeySEUPGSLFORCBKP-JXGYXAOLSA-N
MW330.41 g/mol
LogP4.72
Rot. Bonds5

About (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid

(3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid (PubChem CID 143275585) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name(3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
PubChem CID143275585
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
SMILESC=C/C=C\C=C(C)C.O=C(O)c1cnc(Oc2cccnc2)s1
InChIInChI=1S/C9H6N2O3S.C8H12/c12-8(13)7-5-11-9(15-7)14-6-2-1-3-10-4-6;1-4-5-6-7-8(2)3/h1-5H,(H,12,13);4-7H,1H2,2-3H3/b;6-5-
InChIKeySEUPGSLFORCBKP-JXGYXAOLSA-N
XLogP4.72
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
The IUPAC name of (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid (CID 143275585) is (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid is C=C/C=C\C=C(C)C.O=C(O)c1cnc(Oc2cccnc2)s1.
What is the InChIKey of (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
The InChIKey is SEUPGSLFORCBKP-JXGYXAOLSA-N. The full InChI is InChI=1S/C9H6N2O3S.C8H12/c12-8(13)7-5-11-9(15-7)14-6-2-1-3-10-4-6;1-4-5-6-7-8(2)3/h1-5H,(H,12,13);4-7H,1H2,2-3H3/b;6-5-.
What are the key properties of (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
(3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 143275585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).