5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole

C10H11NS — CID 155706862

IUPAC5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole
SMILESC=C(C)/C=C\C(=C)c1cncs1
InChIInChI=1S/C10H11NS/c1-8(2)4-5-9(3)10-6-11-7-12-10/h4-7H,1,3H2,2H3/b5-4-
InChIKeyFYCCRSNBFOXZAS-PLNGDYQASA-N
MW177.27 g/mol
LogP3.29
Rot. Bonds3

About 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole

5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole (PubChem CID 155706862) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole
PubChem CID155706862
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole
SMILESC=C(C)/C=C\C(=C)c1cncs1
InChIInChI=1S/C10H11NS/c1-8(2)4-5-9(3)10-6-11-7-12-10/h4-7H,1,3H2,2H3/b5-4-
InChIKeyFYCCRSNBFOXZAS-PLNGDYQASA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[(E)-but-2-en-2-yl]-1,3-thiazole
CID 144852945
4-methyl-1-(1,3-thiazol-5-yl)pent-4-en-1-one
CID 114473677
1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
lithium 1,3-thiazole-5-carboxylate
CID 67211399
1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589
1,3-thiazole-5-carbothiohydrazide
CID 88657254
3-hydroxy-3-(1,3-thiazol-5-yl)prop-2-enenitrile
CID 86690969
N'-hydroxy-1,3-thiazole-5-carboximidamide
CID 55281090
methanesulfonic acid;1,3-thiazole-5-carboxamide
CID 174614259
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile
CID 18925381

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole?
The IUPAC name of 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole (CID 155706862) is 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole is C=C(C)/C=C\C(=C)c1cncs1.
What is the InChIKey of 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole?
The InChIKey is FYCCRSNBFOXZAS-PLNGDYQASA-N. The full InChI is InChI=1S/C10H11NS/c1-8(2)4-5-9(3)10-6-11-7-12-10/h4-7H,1,3H2,2H3/b5-4-.
What are the key properties of 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole?
5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole has a molecular weight of 177.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole is sourced from PubChem (CID 155706862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).