[(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate

C13H15ClN2O2S — CID 144532908

IUPAC[(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
SMILESC=C/C(=C\C(=C)Cl)COC(=O)Nc1c(C)nsc1C
InChIInChI=1S/C13H15ClN2O2S/c1-5-11(6-8(2)14)7-18-13(17)15-12-9(3)16-19-10(12)4/h5-6H,1-2,7H2,3-4H3,(H,15,17)/b11-6+
InChIKeyCIUMOGJXAOZAAZ-IZZDOVSWSA-N
MW298.80 g/mol
LogP4.17
Rot. Bonds5

About [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate

[(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate (PubChem CID 144532908) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name[(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
PubChem CID144532908
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name[(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
SMILESC=C/C(=C\C(=C)Cl)COC(=O)Nc1c(C)nsc1C
InChIInChI=1S/C13H15ClN2O2S/c1-5-11(6-8(2)14)7-18-13(17)15-12-9(3)16-19-10(12)4/h5-6H,1-2,7H2,3-4H3,(H,15,17)/b11-6+
InChIKeyCIUMOGJXAOZAAZ-IZZDOVSWSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate 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 [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
The IUPAC name of [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate (CID 144532908) is [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate.
What is the SMILES notation for [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
The canonical SMILES for [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate is C=C/C(=C\C(=C)Cl)COC(=O)Nc1c(C)nsc1C.
What is the InChIKey of [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
The InChIKey is CIUMOGJXAOZAAZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-5-11(6-8(2)14)7-18-13(17)15-12-9(3)16-19-10(12)4/h5-6H,1-2,7H2,3-4H3,(H,15,17)/b11-6+.
What are the key properties of [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
[(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate has a molecular weight of 298.80 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate is sourced from PubChem (CID 144532908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).