2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide

C20H35N3O2S — CID 177014050

IUPAC2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide
SMILESC=C/C(C)=C(\C=C(/CC)C(N)=O)NC=O.CC.CC.Cc1cnc(C)s1
InChIInChI=1S/C11H16N2O2.C5H7NS.2C2H6/c1-4-8(3)10(13-7-14)6-9(5-2)11(12)15;1-4-3-6-5(2)7-4;2*1-2/h4,6-7H,1,5H2,2-3H3,(H2,12,15)(H,13,14);3H,1-2H3;2*1-2H3/b9-6+,10-8+;;;
InChIKeyDMPYUWQNADNPOG-SEVONNKRSA-N
MW381.59 g/mol
LogP4.83
Rot. Bonds6

About 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide

2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide (PubChem CID 177014050) has the molecular formula C20H35N3O2S and a molecular weight of 381.59 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide
PubChem CID177014050
Molecular FormulaC20H35N3O2S
Molecular Weight381.59 g/mol
Exact Mass381.24
IUPAC Name2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide
SMILESC=C/C(C)=C(\C=C(/CC)C(N)=O)NC=O.CC.CC.Cc1cnc(C)s1
InChIInChI=1S/C11H16N2O2.C5H7NS.2C2H6/c1-4-8(3)10(13-7-14)6-9(5-2)11(12)15;1-4-3-6-5(2)7-4;2*1-2/h4,6-7H,1,5H2,2-3H3,(H2,12,15)(H,13,14);3H,1-2H3;2*1-2H3/b9-6+,10-8+;;;
InChIKeyDMPYUWQNADNPOG-SEVONNKRSA-N
XLogP4.83
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide 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 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide?
The IUPAC name of 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide (CID 177014050) is 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide.
What is the SMILES notation for 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide?
The canonical SMILES for 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide is C=C/C(C)=C(\C=C(/CC)C(N)=O)NC=O.CC.CC.Cc1cnc(C)s1.
What is the InChIKey of 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide?
The InChIKey is DMPYUWQNADNPOG-SEVONNKRSA-N. The full InChI is InChI=1S/C11H16N2O2.C5H7NS.2C2H6/c1-4-8(3)10(13-7-14)6-9(5-2)11(12)15;1-4-3-6-5(2)7-4;2*1-2/h4,6-7H,1,5H2,2-3H3,(H2,12,15)(H,13,14);3H,1-2H3;2*1-2H3/b9-6+,10-8+;;;.
What are the key properties of 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide?
2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide has a molecular weight of 381.59 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-thiazole;ethane;(2E,4E)-2-ethyl-4-formamido-5-methylhepta-2,4,6-trienamide is sourced from PubChem (CID 177014050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).