N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H20N2OS — CID 173330226

IUPACN-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC=C(C=CCNC(=O)c1sc(C)nc1C)CC
InChIInChI=1S/C14H20N2OS/c1-5-12(6-2)8-7-9-15-14(17)13-10(3)16-11(4)18-13/h5,7-8H,6,9H2,1-4H3,(H,15,17)
InChIKeyKHDHOMMXQCIICK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.40
Rot. Bonds5

About N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 173330226) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID173330226
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC=C(C=CCNC(=O)c1sc(C)nc1C)CC
InChIInChI=1S/C14H20N2OS/c1-5-12(6-2)8-7-9-15-14(17)13-10(3)16-11(4)18-13/h5,7-8H,6,9H2,1-4H3,(H,15,17)
InChIKeyKHDHOMMXQCIICK-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257222
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
methyl (E)-4-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]but-2-enoate
CID 146099714
N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 115594438
N-(2-bromo-3-ethylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114168808
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065
N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
CID 130610590
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 173330226) is N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is CC=C(C=CCNC(=O)c1sc(C)nc1C)CC.
What is the InChIKey of N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is KHDHOMMXQCIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-5-12(6-2)8-7-9-15-14(17)13-10(3)16-11(4)18-13/h5,7-8H,6,9H2,1-4H3,(H,15,17).
What are the key properties of N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylhexa-2,4-dienyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 173330226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).