(2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide

C12H16N2OS — CID 110461213

IUPAC(2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H16N2OS/c1-3-4-5-6-11(15)13-8-7-12-14-10(2)9-16-12/h3-6,9H,7-8H2,1-2H3,(H,13,15)/b4-3+,6-5+
InChIKeyWRGPOUHKKBNEDM-VNKDHWASSA-N
MW236.34 g/mol
LogP2.24
Rot. Bonds5

About (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide

(2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide (PubChem CID 110461213) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide
PubChem CID110461213
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H16N2OS/c1-3-4-5-6-11(15)13-8-7-12-14-10(2)9-16-12/h3-6,9H,7-8H2,1-2H3,(H,13,15)/b4-3+,6-5+
InChIKeyWRGPOUHKKBNEDM-VNKDHWASSA-N
XLogP2.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.24
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

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110461265
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
(2E,4E)-N-[2-(1,3-benzothiazol-2-yl)ethyl]hexa-2,4-dienamide
CID 51296692
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 81089104

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide (CID 110461213) is (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCCc1nc(C)cs1.
What is the InChIKey of (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide?
The InChIKey is WRGPOUHKKBNEDM-VNKDHWASSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-4-5-6-11(15)13-8-7-12-14-10(2)9-16-12/h3-6,9H,7-8H2,1-2H3,(H,13,15)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide?
(2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide has a molecular weight of 236.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 110461213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).