N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide

C11H14N2OS — CID 72687719

IUPACN-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1nc(CC)cs1
InChIInChI=1S/C11H14N2OS/c1-3-5-6-7-10(14)13-11-12-9(4-2)8-15-11/h3,5-8H,4H2,1-2H3,(H,12,13,14)
InChIKeyGGTLHUBDYIYYCY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.78
Rot. Bonds4

About N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide

N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide (PubChem CID 72687719) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide
PubChem CID72687719
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1nc(CC)cs1
InChIInChI=1S/C11H14N2OS/c1-3-5-6-7-10(14)13-11-12-9(4-2)8-15-11/h3,5-8H,4H2,1-2H3,(H,12,13,14)
InChIKeyGGTLHUBDYIYYCY-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43422829
(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide
CID 122358747
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
(Z)-4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 2323320
ethyl 2-[2-(4,4-dimethylpent-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 72689772
(E)-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 108768245
N-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazole-2-carboxamide
CID 22615150
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
methyl 2-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 102534641

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide (CID 72687719) is N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1nc(CC)cs1.
What is the InChIKey of N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide?
The InChIKey is GGTLHUBDYIYYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-5-6-7-10(14)13-11-12-9(4-2)8-15-11/h3,5-8H,4H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide?
N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide has a molecular weight of 222.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 72687719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).