5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide

C19H30N2OS — CID 91382848

IUPAC5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide
SMILESC=CCCC=CCCCCC(CCCC(N)=O)c1csc(C)n1
InChIInChI=1S/C19H30N2OS/c1-3-4-5-6-7-8-9-10-12-17(13-11-14-19(20)22)18-15-23-16(2)21-18/h3,6-7,15,17H,1,4-5,8-14H2,2H3,(H2,20,22)
InChIKeyUHSXMHOWWMELHU-UHFFFAOYSA-N
MW334.53 g/mol
LogP5.27
Rot. Bonds13

About 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide

5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide (PubChem CID 91382848) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide
PubChem CID91382848
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide
SMILESC=CCCC=CCCCCC(CCCC(N)=O)c1csc(C)n1
InChIInChI=1S/C19H30N2OS/c1-3-4-5-6-7-8-9-10-12-17(13-11-14-19(20)22)18-15-23-16(2)21-18/h3,6-7,15,17H,1,4-5,8-14H2,2H3,(H2,20,22)
InChIKeyUHSXMHOWWMELHU-UHFFFAOYSA-N
XLogP5.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)heptadeca-12,16-dienoic acid
CID 139935820
1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol
CID 105102094
1-(2-methyl-1,3-thiazol-4-yl)oct-7-enylhydrazine
CID 107012859
2,2,3,3-tetramethyl-18-(2-methyl-1,3-thiazol-4-yl)-7-prop-2-enyloctadeca-13,17-dien-6-one
CID 154164217
1,5-bis[5-[butyl(dimethyl)silyl]oxy-2-methyl-1,3-thiazol-4-yl]pentadeca-10,14-dien-1-one
CID 91460624
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 105127443
icosa-8,12-dienediamide
CID 154110661
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
nonadec-18-enamide
CID 166991988

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide (CID 91382848) is 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide is C=CCCC=CCCCCC(CCCC(N)=O)c1csc(C)n1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide?
The InChIKey is UHSXMHOWWMELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-3-4-5-6-7-8-9-10-12-17(13-11-14-19(20)22)18-15-23-16(2)21-18/h3,6-7,15,17H,1,4-5,8-14H2,2H3,(H2,20,22).
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide?
5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide has a molecular weight of 334.53 g/mol, XLogP of 5.27, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dienamide is sourced from PubChem (CID 91382848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).